Publications

Carbon-based monochalcogenides for efficient solar and heat energy harvesting

Bhojani, Amit K.; Kagdada, Hardik L.; Ahuja, Rajeev; Singh, Dheeraj K.

Part of Applied Surface Science, 2023.

DOI for Carbon-based monochalcogenides for efficient solar and heat energy harvesting

Computational insights into the superior efficiency of Cs₂AgGa(Cl,Br)₆ double halide perovskite solar cells

Kibbou, Moussa; Haman, Zakaryae; Khossossi, Nabil; Essaoudi, Ismail et al.

Part of Materials Chemistry and Physics, 2023.

DOI for Computational insights into the superior efficiency of Cs₂AgGa(Cl,Br)₆ double halide perovskite solar cells

Electronic structure of Bi nanolines on InAs(100)

Nafday, Dhani; Richter, Christine; Heckmann, Olivier; Wang, Weimin et al.

Part of Applied Surface Science, 2023.

DOI for Electronic structure of Bi nanolines on InAs(100) Download full text (pdf) of Electronic structure of Bi nanolines on InAs(100)

Electronic topological transitions and mechanical properties of hafnium dioxide allotrope at high pressure: Evolutionary first-principles techniques

Bovornratanaraks, Thipok; Ahuja, Rajeev; Luo, Wei; Tsuppayakorn-aek, Prutthipong

Part of Physica. B, Condensed matter, 2023.

DOI for Electronic topological transitions and mechanical properties of hafnium dioxide allotrope at high pressure: Evolutionary first-principles techniques

Fe2C- and Mn-2(W/Mo)B-4-based rare-earth-free permanent magnets as a result of the high-throughput and data-mining search

Vishina, Alena; Eriksson, Olle; Herper, Heike C.

Part of MATERIALS RESEARCH LETTERS, p. 76-83, 2023.

DOI for Fe2C- and Mn-2(W/Mo)B-4-based rare-earth-free permanent magnets as a result of the high-throughput and data-mining search Download full text (pdf) of Fe2C- and Mn-2(W/Mo)B-4-based rare-earth-free permanent magnets as a result of the high-throughput and data-mining search

Genuinely noncyclic geometric gates in two-pulse schemes

Eivarsson, Nils; Sjöqvist, Erik

2023.

Magnetic properties of NdFe11Ti and YFe11Ti, from experiment and theory

Herper, Heike C.; Skokov, Konstantin P.; Ener, Semih; Thunström, Patrik et al.

Part of Acta Materialia, 2023.

DOI for Magnetic properties of NdFe11Ti and YFe11Ti, from experiment and theory Download full text (pdf) of Magnetic properties of NdFe11Ti and YFe11Ti, from experiment and theory

On the structural and magnetic properties of Al-rich high entropy alloys: a joint experimental-theoretical study

Dastanpour, Esmat; Huang, Shuo; Schönecker, Stephan; Mao, Huahai et al.

Part of Journal of Physics D, 2023.

DOI for On the structural and magnetic properties of Al-rich high entropy alloys: a joint experimental-theoretical study Download full text (pdf) of On the structural and magnetic properties of Al-rich high entropy alloys: a joint experimental-theoretical study

Rashba-induced spin texture and spin-layer-locking effects in the antiferromagnetic CrI3 bilayer

Ghosh, Sukanya; Stojic, Natasa; Binggeli, Nadia

Part of Journal of Physics and Chemistry of Solids, 2023.

DOI for Rashba-induced spin texture and spin-layer-locking effects in the antiferromagnetic CrI3 bilayer Download full text (pdf) of Rashba-induced spin texture and spin-layer-locking effects in the antiferromagnetic CrI3 bilayer

Structural Stability and Electronic Properties of 2D MXene Hf3C2F2 Monolayer by Density Functional Theory Approach

Jadav, Rahulkumar P.; Mishra, Pushkar; Kumavat, Sandip; Singh, Deobrat et al.

Part of Biointerface Research in Applied Chemistry, 2023.

DOI for Structural Stability and Electronic Properties of 2D MXene Hf3C2F2 Monolayer by Density Functional Theory Approach

Superluminous magnons in Nickel Oxide

van Poppelen, Jannes

2023.

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The Collapse of Decoherence: Can Decoherence Theory Solve The Problems of Measurement?

Herlin, Karl

2023.

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2D Janus and non-Janus diamanes with an in-plane negative Poisson's ratio for energy applications

Singh, Deobrat; Khossossi, Nabil; Luo, Wei; Ainane, Abdelmajid et al.

Part of Materials Today Advances, 2022.

DOI for 2D Janus and non-Janus diamanes with an in-plane negative Poisson's ratio for energy applications Download full text (pdf) of 2D Janus and non-Janus diamanes with an in-plane negative Poisson's ratio for energy applications

A multiscale approach for electronic transport simulation of carbon nanostructures in aqueous solvent

Martins, Ernane de Freitas; Scheicher, Ralph H.; Rocha, Alexandre Reily; Feliciano, Gustavo Troiano

Part of Physical Chemistry, Chemical Physics - PCCP, p. 24404-24412, 2022.

DOI for A multiscale approach for electronic transport simulation of carbon nanostructures in aqueous solvent

A perspective on nonlinearities in coherent magnetization dynamics

Li, Jingwen; Yang, Chia-Jung; Mondal, Ritwik; Tzschaschel, Christian et al.

Part of Applied Physics Letters, 2022.

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A study on the relationship of magnetic moments orientation in L1₀FePt network nanostructured film by electron energy-loss magnetic chiral dichroism using semi-core excitation spectra

Makino, Hitoshi; Rusz, Jan; Wang, Jian; Turenne, Diego et al.

Part of Journal of Magnetism and Magnetic Materials, 2022.

DOI for A study on the relationship of magnetic moments orientation in L1₀FePt network nanostructured film by electron energy-loss magnetic chiral dichroism using semi-core excitation spectra Download full text (pdf) of A study on the relationship of magnetic moments orientation in L1₀FePt network nanostructured film by electron energy-loss magnetic chiral dichroism using semi-core excitation spectra

Activation-Induced Surface Modulation of Biowaste-Derived Hierarchical Porous Carbon for Supercapacitors

Sharma, Pratigya; Singh, Deobrat; Minakshi, Manickam; Quadsia, Saleha et al.

Part of ChemPlusChem, 2022.

DOI for Activation-Induced Surface Modulation of Biowaste-Derived Hierarchical Porous Carbon for Supercapacitors Download full text (pdf) of Activation-Induced Surface Modulation of Biowaste-Derived Hierarchical Porous Carbon for Supercapacitors

Adiabatic spin dynamics and effective exchange interactions from constrained tight-binding electronic structure theory: Beyond the Heisenberg regime

Streib, Simon; Cardias, Ramon; Pereiro, Manuel; Bergman, Anders et al.

Part of Physical Review B, 2022.

DOI for Adiabatic spin dynamics and effective exchange interactions from constrained tight-binding electronic structure theory: Beyond the Heisenberg regime Download full text (pdf) of Adiabatic spin dynamics and effective exchange interactions from constrained tight-binding electronic structure theory: Beyond the Heisenberg regime

Amorphisation-induced electrochemical stability of solid-electrolytes in Li-metal batteries: The case of Li3ClO

Choi, Young Won; Araujo, Moyses; Lizarraga, Raquel

Part of Journal of Power Sources, 2022.

DOI for Amorphisation-induced electrochemical stability of solid-electrolytes in Li-metal batteries: The case of Li3ClO Download full text (pdf) of Amorphisation-induced electrochemical stability of solid-electrolytes in Li-metal batteries: The case of Li3ClO

Analysis of molecular ligand functionalization process in nano-molecular electronic devices containing densely packed nano-particle functionalization shells

Sher, Omer; Han, Yuanyuan; Xu, Haoyuan; Li, Hu et al.

Part of Nanotechnology, 2022.

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Anomaly in the dynamical quantum phase transition in a non-Hermitian system with extended gapless phases

Mondal, Debashish; Nag, Tanay

Part of Physical Review B, 2022.

DOI for Anomaly in the dynamical quantum phase transition in a non-Hermitian system with extended gapless phases Download full text (pdf) of Anomaly in the dynamical quantum phase transition in a non-Hermitian system with extended gapless phases

Antibodies Against Phosphorylcholine Among 60-Year-Olds: Clinical Role and Simulated Interactions

Samal, Shailesh Kumar; Panda, Pritam Kumar; Vikstrom, Max; Leander, Karin et al.

Part of Frontiers in Cardiovascular Medicine, 2022.

DOI for Antibodies Against Phosphorylcholine Among 60-Year-Olds: Clinical Role and Simulated Interactions Download full text (pdf) of Antibodies Against Phosphorylcholine Among 60-Year-Olds: Clinical Role and Simulated Interactions

Artificial intelligence driven in-silico discovery of novel organic lithium-ion battery cathodes

Pereira de Carvalho, Rodrigo; Marchiori, Cleber F. N.; Brandell, Daniel; Araujo, Moyses

Part of Energy Storage Materials, p. 313-325, 2022.

DOI for Artificial intelligence driven in-silico discovery of novel organic lithium-ion battery cathodes Download full text (pdf) of Artificial intelligence driven in-silico discovery of novel organic lithium-ion battery cathodes

Asymmetry-Induced Redistribution in Sn(IV)-Ti(IV) Hetero-Bimetallic Alkoxide Precursors and Its Impact on Thin-Film Deposition by Metal-Organic Chemical Vapor Deposition

Mishra, Shashank; Jeanneau, Erwann; Tian, Liang; Nuta, Ioana et al.

Part of Crystal Growth & Design, p. 54-59, 2022.

DOI for Asymmetry-Induced Redistribution in Sn(IV)-Ti(IV) Hetero-Bimetallic Alkoxide Precursors and Its Impact on Thin-Film Deposition by Metal-Organic Chemical Vapor Deposition

Atomically sharp domain walls in an antiferromagnet

Krizek, Filip; Reimers, Sonka; Kaspar, Zdenek; Marmodoro, Alberto et al.

Part of Science Advances, 2022.

DOI for Atomically sharp domain walls in an antiferromagnet Download full text (pdf) of Atomically sharp domain walls in an antiferromagnet

Aurora Borealis in dentistry: The applications of cold plasma in biomedicine

Lata, S.; Chakravorty, Shibani; Mitra, Tamoghni; Pradhan, Prasanti Kumari et al.

Part of MATERIALS TODAY BIO, 2022.

DOI for Aurora Borealis in dentistry: The applications of cold plasma in biomedicine Download full text (pdf) of Aurora Borealis in dentistry: The applications of cold plasma in biomedicine

Band filling effects on the emergence of magnetic skyrmions: Pd/Fe and Pd/Co bilayers on Ir(111)

Miranda, Ivan P.; Klautau, A. B.; Bergman, Anders; Petrilli, H. M.

Part of Physical Review B, 2022.

DOI for Band filling effects on the emergence of magnetic skyrmions: Pd/Fe and Pd/Co bilayers on Ir(111) Download full text (pdf) of Band filling effects on the emergence of magnetic skyrmions: Pd/Fe and Pd/Co bilayers on Ir(111)

Biaxial stress and functional groups (T = O, F, and Cl) tuning the structural, mechanical, and electronic properties of monolayer molybdenum carbide

Kotmool, Komsilp; Kaewmaraya, Thanayut; Hussain, Tanveer; Ahuja, Rajeev et al.

Part of Physical Chemistry, Chemical Physics - PCCP, p. 17862-17869, 2022.

DOI for Biaxial stress and functional groups (T = O, F, and Cl) tuning the structural, mechanical, and electronic properties of monolayer molybdenum carbide

Bifunctional catalytic activity of 2D boron monochalcogenides BX (X = S, Se, Te)

Mishra, Pushkar; Singh, Deobrat; Sonvane, Yogesh; Ahuja, Rajeev

Part of Materials Today Energy, 2022.

DOI for Bifunctional catalytic activity of 2D boron monochalcogenides BX (X = S, Se, Te) Download full text (pdf) of Bifunctional catalytic activity of 2D boron monochalcogenides BX (X = S, Se, Te)

Bilinear-biquadratic spin-1 model in the Haldane and dimerized phases

Rakov, Mykhailo V.; Weyrauch, Michael

Part of Physical Review B, 2022.

DOI for Bilinear-biquadratic spin-1 model in the Haldane and dimerized phases

Binding and optical characteristics of polycyclic aromatic hydrocarbons and their nitroderivatives adsorbed on the C3N monolayer

Deshpande, Swapnil; Deshpande, Mrinalini; Hussain, Tanveer; Ahuja, Rajeev

Part of New Journal of Chemistry, p. 2245-2258, 2022.

DOI for Binding and optical characteristics of polycyclic aromatic hydrocarbons and their nitroderivatives adsorbed on the C3N monolayer

Charge and Spin Dynamics and Enantioselectivity in Chiral Molecules

Fransson, Jonas

Part of Journal of Physical Chemistry Letters, p. 808-814, 2022.

DOI for Charge and Spin Dynamics and Enantioselectivity in Chiral Molecules Download full text (pdf) of Charge and Spin Dynamics and Enantioselectivity in Chiral Molecules

Chiral standing spin waves in skyrmion lattice

Savchenko, Andrii S.; Kuchkin, Vladyslav M.; Rybakov, Filipp N.; Blügel, Stefan et al.

Part of APL Materials, 2022.

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Chirality enhances oxygen reduction

Sang, Yutao; Tassinari, Francesco; Santra, Kakali; Zhang, Wenyan et al.

Part of Proceedings of the National Academy of Sciences of the United States of America, 2022.

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Classical motion in synthetic monopole fields

Carlsson, Ola

2022.

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Comment on "Nonlinear elasticity of prestressed single crystals at high pressure and various elastic moduli"

Krasilnikov, O. M.; Vekilov, Yu Kh; Simak, Sergei I

Part of Physical Review B, 2022.

DOI for Comment on "Nonlinear elasticity of prestressed single crystals at high pressure and various elastic moduli"

Comment on "Proper and improper chiral magnetic interactions"

Cardias, Ramon; Szilva, Attila; Bergman, Anders; Kvashnin, Yaroslav et al.

Part of Physical Review B, 2022.

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Computational Study of the Magnetocrystalline Anisotropy Energy of Ordered CoPt

Fusté Costa, Max

2022.

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Contact electrification through interfacial charge transfer: a mechanistic viewpoint on solid-liquid interfaces

Panda, Pritam Kumar; Singh, Deobrat; Kohler, Mateus H.; de Vargas, Douglas D. et al.

Part of Nanoscale Advances, p. 884-893, 2022.

DOI for Contact electrification through interfacial charge transfer: a mechanistic viewpoint on solid-liquid interfaces Download full text (pdf) of Contact electrification through interfacial charge transfer: a mechanistic viewpoint on solid-liquid interfaces

Correlations between precipitation reactions and electrochemical performance of lithium-sulfur batteries probed by operando scattering techniques

Chien, Yu-Chuan; Lacey, Matthew; Steinke, Nina-Juliane; Brandell, Daniel et al.

Part of Chem, 2022.

DOI for Correlations between precipitation reactions and electrochemical performance of lithium-sulfur batteries probed by operando scattering techniques Download full text (pdf) of Correlations between precipitation reactions and electrochemical performance of lithium-sulfur batteries probed by operando scattering techniques

Crystallinity modulation originates ferroelectricity like nature in piezoelectric selenium

Alluri, Nagamalleswara Rao; Raj, Nirmal Prashanth Maria Joseph; Khandelwal, Gaurav; Panda, Pritam Kumar et al.

Part of Nano Energy, 2022.

DOI for Crystallinity modulation originates ferroelectricity like nature in piezoelectric selenium

Current-induced switching of antiferromagnetic order in Mn2Au from first principles

Selzer, Severin; Salemi, Leandro; Deak, Andras; Simon, Eszter et al.

Part of Physical Review B, 2022.

DOI for Current-induced switching of antiferromagnetic order in Mn2Au from first principles

Dark path holonomic qudit computation

André, Tomas; Sjöqvist, Erik

Part of Physical Review A. Atomic, Molecular, and Optical Physics, 2022.

DOI for Dark path holonomic qudit computation

Density Functional Theory Description of Paramagnetic Hexagonal Close-Packed Iron

Choi, Youngwon; Dong, Zhihua; Li, Wei; Lizarraga, Raquel et al.

Part of Materials, 2022.

DOI for Density Functional Theory Description of Paramagnetic Hexagonal Close-Packed Iron Download full text (pdf) of Density Functional Theory Description of Paramagnetic Hexagonal Close-Packed Iron

Determination and comparison of the electrical and thermal transport properties of BCC and FCC Fe-Ni based ternary alloys in the Earth's inner core

Zidane, Mustapha; Salmani, El Mehdi; Majumdar, Arnab; Syad, Badr Ait et al.

Part of Proceedings of the Indian Academy of Sciences, Earth and Planetary Sciences, 2022.

DOI for Determination and comparison of the electrical and thermal transport properties of BCC and FCC Fe-Ni based ternary alloys in the Earth's inner core

Different fingerprints for the OISTR mechanism in the magnetic alloys experiments

Elhanoty, Mohamed F.; Eriksson, Olle; Knut, Ronny; Karis, Olof et al.

Part of ADVANCES IN ULTRAFAST CONDENSED PHASE PHYSICS III, 2022.

DOI for Different fingerprints for the OISTR mechanism in the magnetic alloys experiments

Dimensionality effects in high-performance thermoelectric materials: Computational and experimental progress in energy harvesting applications

Singh, Deobrat; Ahuja, Rajeev

Part of Wiley Interdisciplinary Reviews. Computational Molecular Science, 2022.

DOI for Dimensionality effects in high-performance thermoelectric materials: Computational and experimental progress in energy harvesting applications Download full text (pdf) of Dimensionality effects in high-performance thermoelectric materials: Computational and experimental progress in energy harvesting applications

Disorder-robust phase crystal in high-temperature superconductors stabilized by strong correlations

Chakraborty, Debmalya; Lofwander, Tomas; Fogelstrom, Mikael; Black-Schaffer, Annica M.

Part of NPJ QUANTUM MATERIALS, 2022.

DOI for Disorder-robust phase crystal in high-temperature superconductors stabilized by strong correlations Download full text (pdf) of Disorder-robust phase crystal in high-temperature superconductors stabilized by strong correlations

Diversity of states in a chiral magnet nanocylinder

Savchenko, Andrii S.; Zheng, Fengshan; Kiselev, Nikolai S.; Yang, Luyan et al.

Part of APL Materials, 2022.

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Dynamical correlations in single-layer CrI₃

Kvashnin, Yaroslav O.; Rudenko, Alexander N.; Thunström, Patrik; Rösner, Malte et al.

Part of Physical Review B, 2022.

DOI for Dynamical correlations in single-layer CrI₃

Dynamical modeling of miR-34a, miR-449a, and miR-16 reveals numerous DDR signaling pathways regulating senescence, autophagy, and apoptosis in HeLa cells

Gupta, Shantanu; Panda, Pritam Kumar; Hashimoto, Ronaldo F.; Samal, Shailesh Kumar et al.

Part of Scientific Reports, 2022.

DOI for Dynamical modeling of miR-34a, miR-449a, and miR-16 reveals numerous DDR signaling pathways regulating senescence, autophagy, and apoptosis in HeLa cells Download full text (pdf) of Dynamical modeling of miR-34a, miR-449a, and miR-16 reveals numerous DDR signaling pathways regulating senescence, autophagy, and apoptosis in HeLa cells

Editorial: Green Perspective of Nano-Biotechnology: Nanotoxicity Horizon to Biomedical Applications

Verma, Suresh K.; Suar, Mrutyunjay; Mishra, Yogendra Kumar

Part of Frontiers in Bioengineering and Biotechnology, 2022.

DOI for Editorial: Green Perspective of Nano-Biotechnology: Nanotoxicity Horizon to Biomedical Applications Download full text (pdf) of Editorial: Green Perspective of Nano-Biotechnology: Nanotoxicity Horizon to Biomedical Applications

Effect of phosphorus doping positions on electronic transport properties in the sawtooth penta-graphene nanoribbon: First-principles insights

Phuc, Vo Trung; Thao, Pham Thi Bich; Ahuja, Rajeev; Tien, Nguyen Thanh

Part of Solid State Communications, 2022.

DOI for Effect of phosphorus doping positions on electronic transport properties in the sawtooth penta-graphene nanoribbon: First-principles insights

Effects of composition and magnetism on interfacial energy in Cu-Co alloys

Li, Changle; Lu, Song; Li, Wei; Chen, Qing et al.

Part of Physical Review Materials, 2022.

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Effects of Flexible Conjugation-Break Spacers of Non-Conjugated Polymer Acceptors on Photovoltaic and Mechanical Properties of All-Polymer Solar Cells

Chen, Qiaonan; Han, Yung Hee; Franco, Leandro R.; Marchiori, Cleber F. N. et al.

Part of Nano-Micro Letters, 2022.

DOI for Effects of Flexible Conjugation-Break Spacers of Non-Conjugated Polymer Acceptors on Photovoltaic and Mechanical Properties of All-Polymer Solar Cells Download full text (pdf) of Effects of Flexible Conjugation-Break Spacers of Non-Conjugated Polymer Acceptors on Photovoltaic and Mechanical Properties of All-Polymer Solar Cells

Elastic properties of body-centered cubic iron in Earth's inner core

Belonoshko, Anatoly B.; Simak, Sergei I; Olovsson, Weine; Vekilova, Olga Yu.

Part of Physical Review B, 2022.

DOI for Elastic properties of body-centered cubic iron in Earth's inner core Download full text (pdf) of Elastic properties of body-centered cubic iron in Earth's inner core

Electronic and magnetic behaviors of (V, Mn), (V, Fe) and (V, Cu) codoped tin carbide: Ab initio and Monte Carlo calculations

Behloul, M.; Benhouria, Y.; Ez-Zahraouy, H.; Essaoudi, I. et al.

Part of Materials Today, p. 448-453, 2022.

DOI for Electronic and magnetic behaviors of (V, Mn), (V, Fe) and (V, Cu) codoped tin carbide: Ab initio and Monte Carlo calculations

Electronic bandstructure modulation of MoX2/ZnO(X:S,Se) heterostructure by applying external electric field

Sharma, Neha Kapila; Sahoo, Sandhyarani; Sahu, Mousam Charan; Mallik, Sameer Kumar et al.

Part of SURFACES AND INTERFACES, 2022.

DOI for Electronic bandstructure modulation of MoX2/ZnO(X:S,Se) heterostructure by applying external electric field

Element-selective ultrafast magnetization dynamics of hybrid Stoner-Heisenberg magnets

Elhanoty, Mohamed F.; Eriksson, Olle; Knut, Ronny; Karis, Olof et al.

Part of Physical Review B, 2022.

DOI for Element-selective ultrafast magnetization dynamics of hybrid Stoner-Heisenberg magnets Download full text (pdf) of Element-selective ultrafast magnetization dynamics of hybrid Stoner-Heisenberg magnets

Elucidating the reaction pathway of crystalline multi-metal borides for highly efficient oxygen-evolving electrocatalysts

Zhao, Shijing; Xu, Shishuai; Yao, Jinlei; Chen, Ning et al.

Part of Journal of Materials Chemistry A, p. 1569-1578, 2022.

DOI for Elucidating the reaction pathway of crystalline multi-metal borides for highly efficient oxygen-evolving electrocatalysts

Emerging trends in the nanomedicine applications of functionalized magnetic nanoparticles as novel therapies for acute and chronic diseases

Dash, Sabyasachi; Das, Tuhin; Patel, Paritosh; Panda, Pritam Kumar et al.

Part of Journal of Nanobiotechnology, 2022.

DOI for Emerging trends in the nanomedicine applications of functionalized magnetic nanoparticles as novel therapies for acute and chronic diseases Download full text (pdf) of Emerging trends in the nanomedicine applications of functionalized magnetic nanoparticles as novel therapies for acute and chronic diseases

Engineering the hydrogen storage properties of the perovskite hydride ZrNiH3 by uniaxial/biaxial strain

Rkhis, M.; Laasri, S.; Touhtouh, S.; Hlil, E. K. et al.

Part of International journal of hydrogen energy, p. 3022-3032, 2022.

DOI for Engineering the hydrogen storage properties of the perovskite hydride ZrNiH3 by uniaxial/biaxial strain

Entanglement duality in spin-spin interactions

Azimi Mousolou, Vahid; Bergman, Anders; Delin, Anna; Eriksson, Olle et al.

Part of Physical Review A: covering atomic, molecular, and optical physics and quantum information, 2022.

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Evidence for a delocalization quantum phase transition without symmetry breaking in CeCoIn₅

Maksimovic, Nikola; Eilbott, Daniel H.; Cookmeyer, Tessa; Wan, Fanghui et al.

Part of Science, p. 76-81, 2022.

DOI for Evidence for a delocalization quantum phase transition without symmetry breaking in CeCoIn₅ Download full text (pdf) of Evidence for a delocalization quantum phase transition without symmetry breaking in CeCoIn₅

Evidence of hybridization states at the donor/acceptor interface: case of m-MTDATA/PPT

Zhang, Teng; Wang, Tingting; Grazioli, Cesare; Guarnaccio, Ambra et al.

Part of Journal of Physics, 2022.

DOI for Evidence of hybridization states at the donor/acceptor interface: case of m-MTDATA/PPT

Exceptional odd-frequency pairing in non-Hermitian superconducting systems

Cayao, Jorge; Black-Schaffer, Annica M.

Part of Physical Review B, 2022.

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Exchange scaling of ultrafast angular momentum transfer in 4f antiferromagnets

Windsor, Y. W.; Lee, S-E; Zahn, D.; Borisov, Vladislav et al.

Part of Nature Materials, p. 514-, 2022.

DOI for Exchange scaling of ultrafast angular momentum transfer in 4f antiferromagnets Download full text (pdf) of Exchange scaling of ultrafast angular momentum transfer in 4f antiferromagnets

Existence of yttrium allotrope with incommensurate host-guest structure at moderate pressure: First evidence from computational approach

Tsuppayakorn-aek, Prutthipong; Bovornratanaraks, Thipok; Ahuja, Rajeev; Bovornratanaraks, Thiti et al.

Part of Computational materials science, 2022.

DOI for Existence of yttrium allotrope with incommensurate host-guest structure at moderate pressure: First evidence from computational approach

Exotic magnetic and electronic properties of layered CrI3 single crystals under high pressure

Ghosh, Anirudha; Singh, Deobrat; Aramaki, T.; Mu, Qingge et al.

Part of Physical Review B, 2022.

DOI for Exotic magnetic and electronic properties of layered CrI3 single crystals under high pressure

Exploring Metastable Phases During Lithiation of Organic Battery Electrode Materials

Pereira de Carvalho, Rodrigo; Alhanash, Mirna; Marchiori, Cleber F. N.; Brandell, Daniel et al.

Part of ChemSusChem, 2022.

DOI for Exploring Metastable Phases During Lithiation of Organic Battery Electrode Materials Download full text (pdf) of Exploring Metastable Phases During Lithiation of Organic Battery Electrode Materials

Exploring the relationship between Ln leaching and Ln-O binding energy in monazite (Nd, Sm, Eu)

Zhao, Xiaofeng; Li, Yuxiang; Teng, Yuancheng; Liu, Hang et al.

Part of Journal of The American Ceramic Society, p. 553-563, 2022.

DOI for Exploring the relationship between Ln leaching and Ln-O binding energy in monazite (Nd, Sm, Eu)

Exploring V-Fe-Co-Ni-Al and V-Fe-Co-Ni-Cu high entropy alloys for magnetocaloric applications

Eggert, Bruno G. F.; Delczeg-Czirjak, Erna Krisztina; Maccari, Fernando; Kumar, Susmit et al.

Part of Journal of Alloys and Compounds, 2022.

DOI for Exploring V-Fe-Co-Ni-Al and V-Fe-Co-Ni-Cu high entropy alloys for magnetocaloric applications Download full text (pdf) of Exploring V-Fe-Co-Ni-Al and V-Fe-Co-Ni-Cu high entropy alloys for magnetocaloric applications

Ferromagnetism with in-plane magnetization, Dirac spin-gapless semiconducting properties, and tunable topological states in two-dimensional rare-earth metal dinitrides

Yu, Yawei; Chen, Xingqi; Liu, Xiaobiao; Li, Jia et al.

Part of Physical Review B, 2022.

DOI for Ferromagnetism with in-plane magnetization, Dirac spin-gapless semiconducting properties, and tunable topological states in two-dimensional rare-earth metal dinitrides

First-principles calculations of the cleavage energy in random solid solutions: A case study for TiZrNbHf high-entropy alloy

Li, Xiaojie; Schonecker, Stephan; Li, Xiaoqing; Li, Wei et al.

Part of Computational materials science, 2022.

DOI for First-principles calculations of the cleavage energy in random solid solutions: A case study for TiZrNbHf high-entropy alloy

First-principles calculations to investigate electronic structure and optical properties of 2D MgCl2 monolayer

Mahida, H. R.; Patel, Abhishek; Singh, Deobrat; Sonvane, Yogesh et al.

Part of Superlattices and Microstructures, 2022.

DOI for First-principles calculations to investigate electronic structure and optical properties of 2D MgCl2 monolayer Download full text (pdf) of First-principles calculations to investigate electronic structure and optical properties of 2D MgCl2 monolayer

Salemi, Leandro

First-principles theory of electrically-induced spin and orbital magnetization

2022.

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Flexible 3D porous boron nitride interconnected network as a high-performance Li-and Na-ion battery electrodes

Khossossi, Nabil; Singh, Deobrat; Luo, Wei; Ahuja, Rajeev

Part of Electrochimica Acta, 2022.

DOI for Flexible 3D porous boron nitride interconnected network as a high-performance Li-and Na-ion battery electrodes Download full text (pdf) of Flexible 3D porous boron nitride interconnected network as a high-performance Li-and Na-ion battery electrodes

Generalized stacking faults energies of face-centered cubic high-entropy alloys: A first-principles study

Li, Xiaojie; Schonecker, Stephan; Vitos, Levente; Li, Xiaoqing

Part of Intermetallics (Barking), 2022.

DOI for Generalized stacking faults energies of face-centered cubic high-entropy alloys: A first-principles study

Generalized stacking faults energies of face-centered cubic high-entropy alloys: A first-principles study

Li, Xiaojie; Schonecker, Stephan; Vitos, Levente; Li, Xiaoqing

Part of Intermetallics (Barking), 2022.

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Genuine geometric quantum gates induced by non-cyclic geodesic evolution of computational basis

Eivarsson, Nils

2022.

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Gossiping electrons: Strong decoherence from screening

Langueville, Felix

2022.

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Harnessing elastic anisotropy to achieve low-modulus refractory high-entropy alloys for biomedical applications

Schonecker, Stephan; Li, Xiaojie; Wei, Daixiu; Nozaki, Shogo et al.

Part of Materials & design, 2022.

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High yield selective electrochemical conversion of N-2 to NH(3)via morphology controlled silver phosphate under ambient conditions

Gupta, Divyani; Kafle, Alankar; Kaur, Sukhjot; Mohanty, Prajna Parimita et al.

Part of Journal of Materials Chemistry A, p. 20616-20625, 2022.

DOI for High yield selective electrochemical conversion of N-2 to NH(3)via morphology controlled silver phosphate under ambient conditions

High-capacity reversible hydrogen storage properties of metal-decorated nitrogenated holey graphenes

Anikina, Ekaterina; Naqvi, S. Rabab; Bae, Hyeonhu; Lee, Hoonkyung et al.

Part of International journal of hydrogen energy, p. 10654-10664, 2022.

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High-Pressure Structural Transformation Pathway and Electronic Properties of AgGaTe2: Ab Initio Evolutionary Structural Searching

Kotmool, K.; Tsuppayakorn-aek, P.; Luo, Wei; Ahuja, Rajeev et al.

Part of The Journal of Physical Chemistry C, p. 14236-14244, 2022.

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Hydoxylated β- and δ-Hexacholorocyclohexane metabolites infer influential intrinsic atomic pathways interaction to elicit oxidative stress-induced apoptosis for bio-toxicity

Singh, Khushbu; Verma, Suresh K.; Patel, Paritosh; Panda, Pritam Kumar et al.

Part of Environmental Research, 2022.

DOI for Hydoxylated β- and δ-Hexacholorocyclohexane metabolites infer influential intrinsic atomic pathways interaction to elicit oxidative stress-induced apoptosis for bio-toxicity

Hydrogen-induced enhancement of thermal stability in VZr(H) metallic glasses

Kaplan, Maciej; Bylin, Johan; Malinovskis, Paulius; Scheicher, Ralph H. et al.

Part of Materialia, 2022.

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Hydrogen-induced volume changes, dipole tensor, and elastic hydrogen-hydrogen interaction in a metallic glass

Bylin, Johan; Malinovskis, Paulius; Devishvili, Anton; Scheicher, Ralph H. et al.

Part of Physical Review B, 2022.

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Imaging of femtosecond bond breaking and charge dynamics in ultracharged peptides

Eliah Dawod, Ibrahim; Timneanu, Nicusor; Mancuso, Adrian P.; Caleman, Carl et al.

Part of Physical Chemistry, Chemical Physics - PCCP, p. 1532-1543, 2022.

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Implementing two-qubit gates along paths on the Schmidt sphere

Johansson Saarijärvi, Max

2022.

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In vivo intrinsic atomic interaction infer molecular eco-toxicity of industrial TiO(2 )nanoparticles via oxidative stress channelized steatosis and apoptosis in Paramecium caudatum

Mohanty, Swabhiman; Patel, Paritosh; Jha, Ealisha; Panda, Pritam Kumar et al.

Part of Ecotoxicology and Environmental Safety, 2022.

DOI for In vivo intrinsic atomic interaction infer molecular eco-toxicity of industrial TiO(2 )nanoparticles via oxidative stress channelized steatosis and apoptosis in Paramecium caudatum Download full text (pdf) of In vivo intrinsic atomic interaction infer molecular eco-toxicity of industrial TiO(2 )nanoparticles via oxidative stress channelized steatosis and apoptosis in Paramecium caudatum

Influence of deuterium-induced volume changes on optical transmission in Fe/V (001) and Cr/V (001) superlattices

Droulias, S. A.; Grånäs, Oscar; Hartmann, Ola; Komander, Kristina et al.

Part of Physical Review B, 2022.

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Influence of strain on an ultrafast phase transition

Ji, Shaozheng; Grånäs, Oscar; Prasad, Amit Kumar; Weissenrieder, Jonas

Part of Nanoscale, p. 304-312, 2022.

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Integrated bioinformatics-cheminformatics approach toward locating pseudo-potential antiviral marine alkaloids against SARS-CoV-2-Mpro

Swain, Shasank S.; Singh, Satya R.; Sahoo, Alaka; Panda, Pritam Kumar et al.

Part of Proteins, p. 1617-1633, 2022.

DOI for Integrated bioinformatics-cheminformatics approach toward locating pseudo-potential antiviral marine alkaloids against SARS-CoV-2-Mpro

Interplay of finite-energy and finite-momentum superconducting pairing

Chakraborty, Debmalya; Black-Schaffer, Annica M.

Part of Physical Review B, 2022.

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Investigation of Nd3+ incorporation in Ce-rhabdophane: Insight from structural flexibility and occupation mechanism

Liu, Hang; Zhao, Xiaofeng; Teng, Yuancheng; Li, Yuxiang et al.

Part of Journal of The American Ceramic Society, p. 4974-4985, 2022.

DOI for Investigation of Nd3+ incorporation in Ce-rhabdophane: Insight from structural flexibility and occupation mechanism

Janus Aluminum Oxysulfide Al2OS: A promising 2D direct semiconductor photocatalyst with strong visible light harvesting

Haman, Zakaryae; Khossossi, Nabil; Kibbou, Moussa; Bouziani, Ilyas et al.

Part of Applied Surface Science, 2022.

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Large Dzyaloshinskii-Moriya interaction and atomic layer thickness dependence in a ferromagnet-WS2 heterostructure

Husain, Sajid; Pal, Sreya; Chen, Xingqi; Kumar, Prabhat et al.

Part of Physical Review B, 2022.

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Lattice dynamic stability and electronic structures of ternary hydrides La(1-x)Y(x)H(3)via first-principles cluster expansion

Tsuppayakorn-aek, Prutthipong; Sukmas, Wiwittawin; Pluengphon, Prayoonsak; Inceesungvorn, Burapat et al.

Part of RSC Advances, p. 26808-26814, 2022.

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Macrospin model of an assembly of magnetically coupled core-shell nanoparticles

Ntallis, Nikolaos; Kons, Corisa; Srikanth, Hariharan; Phan, Manh-Huong et al.

Part of Physical Review B, 2022.

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Magnetic and Structural Properties of the Fe₅Si_1-xGe_xB₂ System

Clulow, Rebecca; Hedlund, Daniel; Vishina, Alena; Svedlindh, Peter et al.

Part of Journal of Solid State Chemistry, 2022.

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Magnetic hopfions in solids

Rybakov, Filipp N.; Kiselev, Nikolai S.; Borisov, Aleksandr B.; Döring, Lukas et al.

Part of APL Materials, 2022.

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Magnetism and magnetic structure determination of a selected (Mn,Co)(23)B-6-compound

Rosenqvist Larsen, Simon; Hedlund, Daniel; Clulow, Rebecca; Sahlberg, Martin et al.

Part of Journal of Alloys and Compounds, 2022.

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Magnetism between magnetic adatoms on monolayer NbSe2

Sarkar, S.; Cossu, F.; Kumari, P.; Moghaddam, A. G. et al.

Part of 2D Materials, p. 045012-, 2022.

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Modified KBBF-like Material for Energy Storage Applications: ZnNiBO3(OH) with Enhanced Cycle Life

Hussain, Iftikhar; Hussain, Tanveer; Ahmad, Muhammad; Ma, Xiaoxia et al.

Part of ACS Applied Materials and Interfaces, p. 8025-8035, 2022.

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Molecular nanoinformatics approach assessing the biocompatibility of biogenic silver nanoparticles with channelized intrinsic steatosis and apoptosis

Panda, Pritam Kumar; Kumari, Puja; Patel, Paritosh; Samal, Shailesh Kumar et al.

Part of Green Chemistry, p. 1190-1210, 2022.

DOI for Molecular nanoinformatics approach assessing the biocompatibility of biogenic silver nanoparticles with channelized intrinsic steatosis and apoptosis Download full text (pdf) of Molecular nanoinformatics approach assessing the biocompatibility of biogenic silver nanoparticles with channelized intrinsic steatosis and apoptosis

Nanocarrier cancer therapeutics with functional stimuli-responsive mechanisms

Kaushik, Neha; Borkar, Shweta B.; Nandanwar, Sondavid K.; Panda, Pritam Kumar et al.

Part of Journal of Nanobiotechnology, 2022.

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Nematic superconductivity in magic-angle twisted bilayer graphene from atomistic modeling

Löthman, Tomas; Schmidt, Johann; Parhizgar, Fariborz; Black-Schaffer, Annica M.

Part of Communications Physics, 2022.

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Network analysis reveals that the tumor suppressor lncRNA GAS5 acts as a double-edged sword in response to DNA damage in gastric cancer

Gupta, Shantanu; Panda, Pritam Kumar; Luo, Wei; Hashimoto, Ronaldo F. et al.

Part of Scientific Reports, 2022.

DOI for Network analysis reveals that the tumor suppressor lncRNA GAS5 acts as a double-edged sword in response to DNA damage in gastric cancer Download full text (pdf) of Network analysis reveals that the tumor suppressor lncRNA GAS5 acts as a double-edged sword in response to DNA damage in gastric cancer

Nonequilibrium sub-10 nm spin-wave soliton formation in FePt nanoparticles

Turenne, Diego; Yaroslavtsev, Alexander; Wang, Xiaocui; Unikandanuni, Vivek et al.

Part of Science Advances, 2022.

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Non-Hermitian higher-order topological superconductors in two dimensions: Statics and dynamics

Ghosh, Arnob Kumar; Nag, Tanay

Part of Physical Review B, 2022.

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Observation of multiple nodal lines in SmSbTe

Regmi, Sabin; Dhakal, Gyanendra; Cheenicode Kabeer, Fairoja; Harrison, Neil et al.

Part of Physical Review Materials, 2022.

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On the energy gap determination of organic optoelectronic materials: the case of porphyrin derivatives

Aderne, Rian E.; Borges, Bruno Gabriel A. L.; Avila, Harold C.; von Kieseritzky, Fredrik et al.

Part of Materials Advances, p. 1791-1803, 2022.

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Optoelectronic properties of 2D van der Waals heterostructure As/PtS2 by first-principles calculations

Patel, Abhishek; Singh, Deobrat; Sonvane, Yogesh; Thakor, P. B. et al.

Part of Materials Today, p. 250-253, 2022.

DOI for Optoelectronic properties of 2D van der Waals heterostructure As/PtS2 by first-principles calculations

Carvalho, Rodrigo P.

Organic Electrode Battery Materials: A Journey from Quantum Mechanics to Artificial Intelligence

2022.

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Persistent half-metallic ferromagnetism in a (111)-oriented manganite superlattice

Cossu, Fabrizio; Kim, Heung-Sik; Sanyal, Biplab; Di Marco, Igor

Part of NPJ COMPUTATIONAL MATERIALS, 2022.

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Phage delivered CRISPR-Cas system to combat multidrug-resistant pathogens in gut microbiome

Nath, Arijit; Bhattacharjee, Rahul; Nandi, Aditya; Sinha, Adrija et al.

Part of Biomedicine and Pharmacotherapy, 2022.

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Phage-tail-like bacteriocins as a biomedical platform to counter anti-microbial resistant pathogens

Bhattacharjee, Rahul; Nandi, Aditya; Sinha, Adrija; Kumar, Hrithik et al.

Part of Biomedicine and Pharmacotherapy, 2022.

DOI for Phage-tail-like bacteriocins as a biomedical platform to counter anti-microbial resistant pathogens Download full text (pdf) of Phage-tail-like bacteriocins as a biomedical platform to counter anti-microbial resistant pathogens

Phase stability, phonon, electronic, and optical properties of not-yet-synthesized CsScS2, CsYS2, and APmS(2) (A= Li, Na, K, Rb, Cs) materials: Insights from first-principles calculations

Allal, Adel; Halit, Mohamed; Saib, Salima; Luo, Wei et al.

Part of Materials Science in Semiconductor Processing, 2022.

DOI for Phase stability, phonon, electronic, and optical properties of not-yet-synthesized CsScS2, CsYS2, and APmS(2) (A= Li, Na, K, Rb, Cs) materials: Insights from first-principles calculations

Phase-tunable electron transport assisted by odd-frequency Cooper pairs in topological Josephson junctions

Cayao, Jorge; Dutta, Paramita; Burset, Pablo; Black-Schaffer, Annica M.

Part of Physical Review B, 2022.

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Photooxidation of PC60BM: new insights from spectroscopy

Brumboiu, Iulia Emilia; Ericsson, Leif K. E.; Blazinic, Vanja; Hansson, Rickard et al.

Part of Physical Chemistry, Chemical Physics - PCCP, p. 25753-25766, 2022.

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Plasmodium falciparum HSP40 protein eCiJp traffics to the erythrocyte cytoskeleton and interacts with the human HSP70 chaperone HSPA1

Sahu, Welka; Bai, Tapaswini; Panda, Pritam Kumar; Mazumder, Archita et al.

Part of FEBS Letters, p. 95-111, 2022.

DOI for Plasmodium falciparum HSP40 protein eCiJp traffics to the erythrocyte cytoskeleton and interacts with the human HSP70 chaperone HSPA1

Plasmonic lasers turn magnetic

Oppeneer, Peter M.; Kapaklis, Vassilios

Part of Nature Photonics, p. 11-13, 2022.

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Polarizability and Orientation Dynamics of Small Proteins

Koerfer, Ebba

2022.

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Preparation and characterization of SiC-ZAC composite material for immobilizing the simulated radioactive graphite

Ye, Mingliang; Teng, Yuancheng; Zhao, Xiaofeng; Wang, Shanlin et al.

Part of Progress in nuclear energy (New series), 2022.

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Preparation and dielectric properties of La doped NBCCTO ceramics

Hu, Qi; Tang, Jiayuan; Teng, Yuancheng; Zhao, Xiaofeng et al.

Part of Journal of Electroceramics, p. 117-126, 2022.

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Preparation and properties of situ-sintered SiC ceramics aided by ZnO-Al2O3-CaO

Ye, Mingliang; Teng, Yuancheng; Zhao, Xiaofeng; Wang, Shanlin et al.

Part of Journal of Alloys and Compounds, 2022.

DOI for Preparation and properties of situ-sintered SiC ceramics aided by ZnO-Al2O3-CaO

Pressure induced structural phase transition and piezochromism in photovoltaic sillen compounds PbBiO2X (X = Cl, Br & I)

Majumdar, Arnab; Ahuja, Rajeev

Part of APPLIED MATERIALS TODAY, 2022.

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Probing the electronic, optical and transport properties of halide double perovskites Rb₂InSb(Cl,Br)₆ for solar cells and thermoelectric applications

Kibbou, Moussa; Haman, Zakaryae; Khossossi, Nabil; Singh, Deobrat et al.

Part of Journal of Solid State Chemistry, 2022.

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Progress and challenges in layered two-dimensional hybrid perovskites

Mohanty, Prajna Parimita; Ahuja, Rajeev; Chakraborty, Sudip

Part of Nanotechnology, 2022.

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Prominent Electrode Material for Na-, K-, and Mg-ion Batteries: 2D beta-Sb Monolayer

Shaikh, Gaushiya A.; Cornil, David; Gupta, Sanjeev K.; Ahuja, Rajeev et al.

Part of Energy & Fuels, p. 7087-7095, 2022.

DOI for Prominent Electrode Material for Na-, K-, and Mg-ion Batteries: 2D beta-Sb Monolayer

Promise and reality of organic electrodes from materials design and charge storage perspective

Banerjee, Amitava; Khossossi, Nabil; Luo, Wei; Ahuja, Rajeev

Part of Journal of Materials Chemistry A, p. 15215-15234, 2022.

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Pushing the limit of thermal conductivity of MAX borides and MABs

Li, Shaohan; Sun, Weiwei; Luo, Yi; Yu, Jin et al.

Part of Journal of Materials Science & Technology, p. 79-88, 2022.

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Pyrophosphate Na2CoP2O7 Polymorphs as Efficient Bifunctional Oxygen Electrocatalysts for Zinc-Air Batteries

Gond, Ritambhara; Singh, Shashwat; Zhao, Xiaofeng; Singh, Deobrat et al.

Part of ACS Applied Materials and Interfaces, p. 40761-40770, 2022.

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Quadruple perovskite CaCu₃Fe₂Re₂O₁₂: A potential actuator based on a multiscale model

Liu, Zeliang; Li, Huijian; Yang, Xiao; Luo, Wei

Part of Materials Today Communications, 2022.

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Quantum Landau-Lifshitz-Gilbert Dynamics of a Dimer

Johnson, Lee

2022.

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Quantum Simulation of Quantum Effects in Sub-10-nm Transistor Technologies

Winka, Anders

2022.

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Quasicrystal nanowires in SNS-junctions

Sandberg, Anna

2022.

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Quasiparticle Interference as a Direct Experimental Probe of Bulk Odd-Frequency Superconducting Pairing

Chakraborty, Debmalya; Black-Schaffer, Annica M.

Part of Physical Review Letters, 2022.

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Quasiperiodic Van der Waals Heterostructures of Graphene and Hexagonal Boron Nitride

Bhandary, Sumanta; Haldar, Soumyajyoti; Sanyal, Biplab

Part of Physica status solidi. B, Basic research, 2022.

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Realistic first-principles calculations of the magnetocaloric effect: applications to hcp Gd

Vieira, Rafael Martinho; Eriksson, Olle; Bjorkman, T.; Bergman, Anders et al.

Part of MATERIALS RESEARCH LETTERS, p. 156-162, 2022.

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Recursion methods for solving the Schrödinger equation

Lindberg, Thor; Ljungar, Anton; Engström, Emy

2022.

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Relativistic Effects in Platinum Nanocluster Catalysis: A Statistical Ensemble-Based Analysis

Nair, Akhil S.; Anoop, Anakuthil; Ahuja, Rajeev; Pathak, Biswarup

Part of Journal of Physical Chemistry A, p. 1345-1359, 2022.

DOI for Relativistic Effects in Platinum Nanocluster Catalysis: A Statistical Ensemble-Based Analysis

Reply to the 'Comment on "Ultralow magnetostrictive flexible ferromagnetic nanowires"' by D. Faurie, N. Challab, M. Haboussi, and F. Zighem, Nanoscale, 2022, 14, DOI: 10.1039/D1NR01773J COMMENT

Muscas, Giuseppe; Jönsson, Petra; Kamalakar, M. Venkata

Part of Nanoscale, p. 1017-1018, 2022.

DOI for Reply to the 'Comment on "Ultralow magnetostrictive flexible ferromagnetic nanowires"' by D. Faurie, N. Challab, M. Haboussi, and F. Zighem, Nanoscale, 2022, 14, DOI: 10.1039/D1NR01773J COMMENT Download full text (pdf) of Reply to the 'Comment on "Ultralow magnetostrictive flexible ferromagnetic nanowires"' by D. Faurie, N. Challab, M. Haboussi, and F. Zighem, Nanoscale, 2022, 14, DOI: 10.1039/D1NR01773J COMMENT

Resonant inelastic soft x-ray scattering on LaPt₂Si₂

Mukkattukavil, Deepak John; Hellsvik, Johan; Ghosh, Anirudha; Chatzigeorgiou, Evanthia et al.

Part of Journal of Physics, 2022.

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Revealing the superlative electrochemical properties of o-B2N2 monolayer in Lithium/Sodium-ion batteries

Khossossi, Nabil; Luo, Wei; Haman, Zakaryae; Singh, Deobrat et al.

Part of Nano Energy, 2022.

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Robust topological superconductivity in weakly coupled nanowire-superconductor hybrid structures

Awoga, Oladunjoye A.; Cayao, Jorge; Black-Schaffer, Annica M.

Part of Physical Review B, 2022.

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Roles of optical phonons and logarithmic profile of electron-phonon coupling integration in superconducting Sc0.5Y0.5H6 superhydride under pressures

Sukmas, Wiwittawin; Tsuppayakorn-aek, Prutthipong; Pinsook, Udomsilp; Ahuja, Rajeev et al.

Part of Journal of Alloys and Compounds, 2022.

DOI for Roles of optical phonons and logarithmic profile of electron-phonon coupling integration in superconducting Sc0.5Y0.5H6 superhydride under pressures

Single-molecule DNA sequencing using two-dimensional Ti2C(OH)(2) MXene nanopores: A first-principles investigation

Prasongkit, Jariyanee; Jungthawan, Sirichok; Amorim, Rodrigo G.; Scheicher, Ralph H.

Part of Nano Reseach, p. 9843-9849, 2022.

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Skyrmion-antiskyrmion pair creation and annihilation in a cubic chiral magnet

Zheng, Fengshan; Kiselev, Nikolai S.; Yang, Luyan; Kuchkin, Vladyslav M. et al.

Part of Nature Physics, p. 863-+, 2022.

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Solving the Bose-Hubbard model in new ways

Sowa, Artur; Fransson, Jonas

Part of QUANTUM, 2022.

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Spin and valence variation in cobalt doped barium strontium titanate ceramics

Kaur, Anumeet; Singh, Deobrat; Das, Arkaprava; Asokan, K. et al.

Part of Physical Chemistry, Chemical Physics - PCCP, p. 19865-19881, 2022.

DOI for Spin and valence variation in cobalt doped barium strontium titanate ceramics

Spin-lattice couplings in two-dimensional CrI3 from first-principles computations

Sadhukhan, Banasree; Bergman, Anders; Kvashnin, Yaroslav; Hellsvik, Johan et al.

Part of Physical Review B, 2022.

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Stability of and conduction in single-walled Si2BN nanotubes

Singh, Deobrat; Shukla, Vivekanand; Khossossi, Nabil; Hyldgaard, Per et al.

Part of Physical Review Materials, 2022.

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Stabilizing superconductivity of ternary metal pentahydride CaCH5 via electronic topological transitions under high pressure from first principles evolutionary algorithm

Tsuppayakorn-aek, Prutthipong; Phaisangittisakul, Nakorn; Ahuja, Rajeev; Bovornratanaraks, Thiti

Part of Scientific Reports, 2022.

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Stacked Si2BN monolayers as ultra-high-capacity anode material for divalent Mg-ion batteries

Panigrahi, Puspamitra; Desai, Manish; Ahuja, Rajeev; Hussain, Tanveer

Part of FlatChem, 2022.

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Strain modulating electronic band gaps and SQ efficiencies of semiconductor 2D PdQ(2) (Q = S, Se) monolayer

Raval, Dhara; Gupta, Sanjeev K.; Gajjar, P. N.; Ahuja, Rajeev

Part of Scientific Reports, 2022.

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Strain-driven antiferromagnetic exchange interaction in SrMnO₃ probed by phase-shifted spin Hall magnetoresistance

van Rijn, J. J. L.; Wang, Duo; Sanyal, Biplab; Banerjee, T.

Part of Physical Review B, 2022.

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Strain-mediated ferromagnetism and low-field magnetic reversal in Co doped monolayer WS2

Jena, Anjan Kumar; Mallik, Sameer Kumar; Sahu, Mousam Charan; Sahoo, Sandhyarani et al.

Part of Scientific Reports, 2022.

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Strong momentum-dependent electron-magnon renormalization of a surface resonance on iron

Andres, Beatrice; Weinelt, Martin; Ebert, Hubert; Braun, Juergen et al.

Part of Applied Physics Letters, 2022.

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Strong Optical Excitation and High Thermoelectric Performance in 2D Holey-Phosphorene Monolayer

Khossossi, Nabil; Singh, Deobrat; Luo, Wei; Ahuja, Rajeev

Part of Energy Technology, 2022.

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Structural and electronic properties of the random alloy ZnSexS1-x

Sarkar, S.; Eriksson, Olle; Sarma, D. D.; Di Marco, Igor

Part of Physical Review B, 2022.

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Structures, stabilities, optoelectronic and photocatalytic properties of Janus aluminium mono-chalcogenides Al(Ga, In)STe monolayers

Bahti, Soukaina; Kibbou, Moussa; Khossossi, Nabil; Essaoudi, Ismail et al.

Part of Physica. E, Low-Dimensional systems and nanostructures, 2022.

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Studies on Reverse Engineering of Constant Frequence Geometric Quantum Gates

Zijin, Wu

2022.

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Superalkali functionalized two-dimensional haeckelite monolayers: A novel hydrogen storage architecture

Ian, Jason J.; Pal, Yash; Anees, P.; Bae, Hyeonhu et al.

Part of International journal of hydrogen energy, p. 33391-33402, 2022.

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Superconducting density of states and band structure at the surface of the candidate topological superconductor Au2Pb

Martin-Vega, Francisco; Herrera, Edwin; Wu, Beilun; Barrena, Victor et al.

Part of Physical Review Research, 2022.

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Superconducting Gap of Pressure Stabilized (Al0.5Zr0.5)H3 from Ab Initio Anisotropic Migdal-Eliashberg Theory

Tsuppayakorn-aek, Prutthipong; Ahuja, Rajeev; Bovornratanaraks, Thiti; Luo, Wei

Part of ACS Omega, p. 28190-28197, 2022.

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Superconducting pairing from repulsive interactions of fermions in a flat-band system

Mahyaeh, I.; Köhler, Thomas; Black-Schaffer, Annica M.; Kantian, Adrian

Part of Physical Review B, 2022.

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Superconducting quantum interference at the atomic scale

Karan, Sujoy; Huang, Haonan; Padurariu, Ciprian; Kubala, Bjoern et al.

Part of Nature Physics, p. 893-+, 2022.

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Synergy of nanocarriers with CRISPR-Cas9 in an emerging technology platform for biomedical appliances: Current insights and perspectives

Bhattacharjee, Rahul; Jana, Ankit; Nandi, Aditya; Sinha, Adrija et al.

Part of Materials & design, 2022.

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Temperature-Dependent Chiral-Induced Spin Selectivity Effect: Experiments and Theory

Das, Tapan Kumar; Tassinari, Francesco; Naaman, Ron; Fransson, Jonas

Part of The Journal of Physical Chemistry C, p. 3257-3264, 2022.

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The translational paradigm of nanobiomaterials: Biological chemistry to modern applications

Sinha, Adrija; Simnani, Faizan Zarreen; Singh, Dibyangshee; Nandi, Aditya et al.

Part of MATERIALS TODAY BIO, 2022.

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Theoretical and experimental study of phase transformation and twinning behavior in metastable high-entropy alloys

Yang, Zhibiao; Lu, Song; Tian, Yanzhong; Gu, Zijian et al.

Part of Journal of Materials Science & Technology, p. 161-168, 2022.

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Theory of inertial spin dynamics in anisotropic ferromagnets

Cherkasskii, Mikhail; Barsukov, Igor; Mondal, Ritwik; Farle, Michael et al.

Part of Physical Review B, 2022.

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Theory of magnetic spin and orbital Hall and Nernst effects in bulk ferromagnets

Salemi, Leandro; Oppeneer, Peter M.

Part of Physical Review B, 2022.

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Theragnostic application of nanoparticle and CRISPR against food-borne multi-drug resistant pathogens

Bhattacharjee, Rahul; Nandi, Aditya; Mitra, Priya; Saha, Koustav et al.

Part of MATERIALS TODAY BIO, 2022.

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Thermal squeezing and nonlinear spectral shift of magnons in antiferromagnetic insulators

Shiranzaei, Mahroo; Troncoso, Roberto E.; Fransson, Jonas; Brataas, Arne et al.

Part of New Journal of Physics, 2022.

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Thermally induced magnetic order from glassiness in elemental neodymium

Verlhac, Benjamin; Niggli, Lorena; Bergman, Anders; Kamber, Umut et al.

Part of Nature Physics, p. 905-911, 2022.

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Thermodefect voltage in graphene nanoribbon junctions

Aydin, Alhun; Sisman, Altug; Fransson, Jonas; Black-Schaffer, Annica M. et al.

Part of Journal of Physics, 2022.

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Thermo-elastic behavior of hexagonal Sc-Ti-Zr-Hf high-entropy alloys

Huang, Shuo; Cheng, Jie; Liu, Lei; Li, Wei et al.

Part of Journal of Physics D, 2022.

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Thermophysical properties of helium and hydrogen mixtures under high pressure predicted by ab-initio calculations: Implications for Saturn and Jupiter planets

Zidane, Mustapha; Salmani, El Mehdi; Majumdar, Arnab; Elmoulat, Meryem et al.

Part of Chemical Physics, 2022.

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Tight-bindning theory of superconductivity

Sandberg, Anna

2022.

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Time-optimal holonomic quantum computation

O. Alves, Gabriel

2022.

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Time-optimal holonomic quantum computation

Alves, Gabriel O.; Sjöqvist, Erik

Part of Physical review A : covering atomic, molecular, and optical physics and quantum information, 2022.

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TM dopant-induced H-vacancy diffusion kinetics of sodium-lithium alanates: Ab initio study for hydrogen storage improvement

Pluengphon, Prayoonsak; Tsuppayakorn-aek, Prutthipong; Sukmas, Wiwittawin; Inceesungvorn, Burapat et al.

Part of International journal of hydrogen energy, p. 18763-18771, 2022.

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Transition metal substituted MoS2/WS2 van der Waals heterostructure for realization of dilute magnetic semiconductors

Mallik, Sameer Kumar; Jena, Anjan Kumar; Sharma, Neha Kapila; Sahoo, Sandhyarani et al.

Part of Journal of Magnetism and Magnetic Materials, 2022.

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Transitionless quantum driving in spin echo

Gregefalk, Anton; Sjöqvist, Erik

Part of Physical Review Applied, 2022.

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Trans-polyacetylene based organic spin valve for a multifunctional spin-based device: A first principle analysis

Gaurav, Kumar; SanthiBhushan, Boddepalli; Gutierrez, Gonzalo; Ahuja, Rajeev et al.

Part of JOURNAL OF SCIENCE-ADVANCED MATERIALS AND DEVICES, 2022.

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Transversal Construction of Topological Gates on Multiqubit Quantum Codes

Chauwinoir, Sheila

2022.

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Tuning skyrmions in B20 compounds by 4d and 5d doping

Borisov, Vladislav; Xu, Qichen; Ntallis, Nikolaos; Clulow, Rebecca et al.

Part of Physical Review Materials, 2022.

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Tuning the electronic, magnetic, and sensing properties of a single atom embedded microporous C3N6 monolayer towards XO2 (X = C, N, S) gases

Deshpande, Swapnil; Deshpande, Mrinalini; Ahuja, Rajeev; Hussain, Tanveer

Part of New Journal of Chemistry, p. 13752-13765, 2022.

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Tuning the magnetic phase diagram of Ni-Mn-Ga by Cr and Co substitution

Schröter, M.; Herper, Heike C.; Grünebohm, A.

Part of Journal of Physics D, 2022.

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Tuning the photocatalytic properties of porphyrins for hydrogen evolution reaction: An in-silico design strategy

Marchiori, Cleber F. N.; Damas, Giane B.; Araujo, Moyses

Part of Journal of Power Sources Advances, 2022.

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Two-Dimensional Bismuthene Nanosheets for Selective Detection of Toxic Gases

Panigrahi, Puspamitra; Panda, Pritam Kumar; Pal, Yash; Bae, Hyeonhu et al.

Part of ACS Applied Nano Materials, p. 2984-2993, 2022.

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Two-dimensional Nitrogenated Holey Graphene (C2N) monolayer based glucose sensor for diabetes mellitus

Panigrahi, Puspamitra; Sajjad, Muhammad; Singh, Deobrat; Hussain, Tanveer et al.

Part of Applied Surface Science, 2022.

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Two-Dimensional Pentagraphyne as a High-Performance Anode Material for Li/Na-Ion Rechargeable Batteries

Deb, Jyotirmoy; Ahuja, Rajeev; Sarkar, Utpal

Part of ACS Applied Nano Materials, p. 10572-10582, 2022.

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Two-Dimensional Perovskite/HfS2 van der Waals Heterostructure as an Absorber Material for Photovoltaic Applications

Singh, Deobrat; Ahuja, Rajeev

Part of ACS Applied Energy Materials, p. 2300-2307, 2022.

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Ultrafast manipulation of the NiO antiferromagnetic order via sub-gap optical excitation

Wang, Xiaocui; Engel, Robin Y.; Vaskivskyi, Igor; Turenne, Diego et al.

Part of Faraday discussions, p. 300-316, 2022.

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Ultrafast modification of the electronic structure of a correlated insulator

Grånäs, Oscar; Vaskivskyi, I.; Wang, X.; Thunström, Patrik et al.

Part of Physical Review Research, 2022.

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Understanding the lithiation limits of high-capacity organic battery anodes by atomic charge derivative analysis

Carvalho, Rodrigo P.; Marchiori, Cleber F. N.; Brandell, Daniel; Araujo, C. Moyses

Part of Journal of Chemical Physics, 2022.

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Uniaxial pressure effects in the two-dimensional van der Waals ferromagnet CrI3

Arneth, J.; Jonak, M.; Spachmann, S.; Abdel-Hafiez, Mahmoud et al.

Part of Physical Review B, 2022.

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Universal quantum computation and quantum error correction using discrete holonomies

Mommers, Cornelis, J. G.; Sjöqvist, Erik

Part of Physical Review A. Atomic, Molecular, and Optical Physics, 2022.

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Unraveling the acid-base characterization and solvent effects on the structural and electronic properties of a bis-bidentate bridging ligand

Franco, Leandro Rezende; Figueiredo Toledo, Kalil Cristhian; Matias, Tiago Araujo; Benavides, Paola Andrea et al.

Part of Physical Chemistry, Chemical Physics - PCCP, p. 10222-10240, 2022.

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Unusual Magnetic Features in Two-Dimensional Fe5GeTe2 Induced by Structural Reconstructions

Ershadrad, Soheil; Ghosh, Sukanya; Wang, Duo; Kvashnin, Yaroslav et al.

Part of Journal of Physical Chemistry Letters, p. 4877-4883, 2022.

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Vacancy assisted growth of copper tantalum sulfide nanocrystals

Haque, Anamul; Ershadrad, Soheil; Chonamada, Trupthi Devaiah; Saha, Dipankar et al.

Part of Journal of Materials Chemistry A, p. 19925-19934, 2022.

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Weak antilocalization and electron-electron interactions in topological insulator BixTey films deposited by sputtering on Si(100)

Pandey, Lalit; Husain, Sajid; Chen, Xin; Barwal, Vineet et al.

Part of Physical Review Materials, 2022.

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X-ray Induced Fragmentation of Protonated Cystine

Gopakumar, Geethanjali; Svensson, Pamela; Grånäs, Oscar; Brena, Barbara et al.

Part of Journal of Physical Chemistry A, p. 1496-1503, 2022.

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2D MgF₂ nanosheet as a promising candidate for thermoelectric material

Mahida, H. R.; Singh, Deobrat; Sonvane, Yogesh; Ahuja, Rajeev et al.

Part of Materials today, p. 555-558, 2021.

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2p x-ray absorption spectroscopy of 3d transition metal systems

de Groot, Frank M. F.; Elnaggar, Hebatalla; Frati, Federica; Wang, Ru-pan et al.

Part of Journal of Electron Spectroscopy and Related Phenomena, 2021.

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3D Lattice-Matching Layered Hydroxide Heterostructure with Improved Interfacial Charge Transfer and Ion Diffusion for High Energy Density Supercapacitor

Liu, Huanji; Zhu, Juncheng; Tian, Dan; Pereira de Carvalho, Rodrigo et al.

Part of Advanced Materials Interfaces, 2021.

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8-16-4 graphyne: Square-lattice two-dimensional nodal line semimetal with a nontrivial topological Zak index

Bandyopadhyay, Arka; Majumdar, Arnab; Chowdhury, Suman; Ahuja, Rajeev et al.

Part of Physical Review B, 2021.

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A comparative study of solid-solution strengthening in Cr-Co-Ni complex concentrated alloys: The effect of magnetism

Yang, Zhibiao; Sun, Jian; Lu, Song; Vitos, Levente

Part of Computational materials science, 2021.

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A DMI Guide to Magnets Micro-World

Mazurenko, V. V.; Kvashnin, Yaroslav O.; Lichtenstein, A. I.; Katsnelson, M. I.

Part of Journal of Experimental and Theoretical Physics, p. 506-516, 2021.

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A new CBD-CC-E spectral similarity scale for optimizing computer-simulated UV?vis spectra

de Araujo, Luis O.; Neto, Alfredo L.; Scalon, Lucas; Rodrigues, Paula C. et al.

Part of Computational and Theoretical Chemistry, 2021.

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A Pt/MnV2O6 nanocomposite for the borohydride oxidation reaction

Milikic, Jadranka; Martins, Marta; Dobrota, Ana S.; Bozkurt, Gamze et al.

Part of Journal of Energy Chemistry, p. 428-436, 2021.

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A spatial analysis of parliamentary elections in Sweden 1985-2018

Michaud, Jérôme; Mäkinen, Ilkka H.; Szilva, Attila; Frisk, Emil

Part of Applied Network Science, 2021.

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A unique view of SARS-CoV-2 through the lens of ORF8 protein

Hassan, Sk Sarif; Aljabali, Alaa A. A.; Panda, Pritam Kumar; Ghosh, Shinjini et al.

Part of Computers in Biology and Medicine, 2021.

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Ab initio study of electromagnetic modes in two-dimensional semiconductors: Application to doped phosphorene

Novko, Dino; Lyon, Keenan; Mowbray, Duncan J.; Despoja, Vito

Part of Physical Review B, 2021.

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Ab-initio study of the electronic structure and magnetic properties of Ce2Fe17

Vishina, Alena; Eriksson, Olle; Vekilova, Olga Yu; Bergman, Anders et al.

Part of Journal of Alloys and Compounds, 2021.

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Absolute surface energies of wurtzite (101‾1) surfaces and the instability of the cation-adsorbed surfaces of II-VI semiconductors

Jin, Wentao; Chen, Guangde; Duan, Xiangyang; Araujo, C. Moyses et al.

Part of Applied Physics Letters, 2021.

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Adiabatic Shortcut to Geometric Quantum Computation in Noiseless Subsystems

Gregefalk, Anton

2021.

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Adlayer influence on Dirac-type surface state at W(110)

Grenz, P. J.; Thonig, Danny; Holtmann, M.; Miyamoto, K. et al.

Part of Journal of Physics, 2021.

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Adsorption characteristics of amino acids on graphene and germanene using dispersion-corrected density functional theory

Ayatollahi, Azadeh; Roknabadi, Mahmood Rezaee; Behdani, Mohammad; Shahtahmassebi, Nasser et al.

Part of Physica. E, Low-Dimensional systems and nanostructures, 2021.

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All-alkoxide based deposition and properties of a multilayer La0.67Sr0.33MnO3/CoFe2O4/La0.67Sr0.33MnO3 film

Kumar, P. Anil; Lashgari, Koroush; Naim Katea, Sarmad; Karis, Olof et al.

Part of European Journal of Inorganic Chemistry, p. 1736-1744, 2021.

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Alloying effect on the order-disorder transformation in tetragonal FeNi

Tian, Li-Yun; Gutfleisch, Oliver; Eriksson, Olle; Vitos, Levente

Part of Scientific Reports, 2021.

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Altered electrochemical properties of iron oxide nanoparticles by carbon enhance molecular biocompatibility through discrepant atomic interaction

Verma, Suresh K.; Thirumurugan, A.; Panda, Pritam Kumar; Patel, P. et al.

Part of MATERIALS TODAY BIO, 2021.

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Analyzer-free, intensity-based, wide-field magneto-optical microscopy

Schäfer, Rudolf; Oppeneer, Peter M.; Ognev, Alexey V.; Samardak, Alexander S. et al.

Part of Applied Physics Reviews, 2021.

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Angle-resolved photoemission spectroscopy view on the nature of Ce 4f electrons in the antiferromagnetic Kondo lattice CePd₅Al₂

Yuan, Ya-Hua; Duan, Yu-Xia; Rusz, Ján; Zhang, Chen et al.

Part of Physical Review B, 2021.

DOI for Angle-resolved photoemission spectroscopy view on the nature of Ce 4f electrons in the antiferromagnetic Kondo lattice CePd₅Al₂

Anisotropic superconductivity in the spin-vortex antiferromagnetic superconductor CaK(Fe_0.95Ni_0.05)₄As₄

Benito Llorens, José; Herrera, Edwin; Barrena, Víctor; Wu, Beilun et al.

Part of Physical Review B, 2021.

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Anisotropic ultrafast spin dynamics in epitaxial cobalt

Unikandanunni, Vivek; Medapalli, Rajasekhar; Fullerton, Eric E.; Carva, Karel et al.

Part of Applied Physics Letters, 2021.

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Anisotropically large anomalous and topological Hall effect in a kagome magnet

Dhakal, Gyanendra; Cheenicode Kabeer, Fairoja; Pathak, Arjun K.; Kabir, Firoza et al.

Part of Physical Review B, 2021.

DOI for Anisotropically large anomalous and topological Hall effect in a kagome magnet

Antichiral ferromagnetism

Rybakov, Filipp N.; Pervishko, Anastasiia; Eriksson, Olle; Babaev, Egor

Part of Physical Review B, 2021.

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Antimonene Allotropes alpha- and beta-Phases as Promising Anchoring Materials for Lithium-Sulfur Batteries

Singh, Deobrat; Gupta, Sanjeev K.; Hussain, Tanveer; Sonvane, Yogesh et al.

Part of Energy & Fuels, p. 9001-9009, 2021.

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Application of germanene monolayers as efficient anchoring material to immobilize lithium polysulfides in Li-S batteries

Panigrahi, Puspamitra; Pal, Yash; Hussain, Tanveer; Ahuja, Rajeev

Part of Applied Surface Science, 2021.

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As a single atom Pd outperforms Pt as the most active co-catalyst for photocatalytic H-2 evolution

Cha, Gihoon; Hwang, Imgon; Hejazi, Seyedsina; Dobrota, Ana S. et al.

Part of ISCIENCE, 2021.

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Assessing the Donor-Acceptor Nature and the Electrochemical Stability of a Fluorene-Diketopyrrolopyrrole-Thiophene-Based Copolymer

Scalon, Lucas; Leithold Neto, Alfredo; Araujo, Luis O.; Zaioncz, Soraia et al.

Part of ACS APPLIED POLYMER MATERIALS, p. 4223-4233, 2021.

DOI for Assessing the Donor-Acceptor Nature and the Electrochemical Stability of a Fluorene-Diketopyrrolopyrrole-Thiophene-Based Copolymer

Assessing the magnetic order dependent gamma-surface of Cr-Co-Ni alloys

Yang, Zhibiao; Lu, Song; Tian, Yanzhong; Gu, Zijian et al.

Part of Journal of Materials Science & Technology, p. 66-74, 2021.

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Atomic Structure and Electron Magnetic Circular Dichroism of Individual Rock Salt Structure Antiphase Boundaries in Spinel Ferrites

Li, Zhuo; Lu, Jinlian; Jin, Lei; Rusz, Jan et al.

Part of Advanced Functional Materials, 2021.

DOI for Atomic Structure and Electron Magnetic Circular Dichroism of Individual Rock Salt Structure Antiphase Boundaries in Spinel Ferrites

Autoimmunity roots of the thrombotic events after COVID-19 vaccination

Elrashdy, Fatma; Tambuwala, Murtaza M.; Hassan, Sk Sarif; Adadi, Parise et al.

Part of Autoimmunity Reviews, 2021.

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Bain Deformation Mechanism and Lifshitz Transition in Magnesium under High Pressure

Tsuppayakorn-aek, Prutthipong; Zhang, Jianbo; Luo, Wei; Ding, Yang et al.

Part of Physica status solidi. B, Basic research, 2021.

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Band-Order Anomaly at the gamma-Al2O3/SrTiO3 Interface Drives the Electron-Mobility Boost

Chikina, Alla; Christensen, Dennis, V; Borisov, Vladislav; Husanu, Marius-Adrian et al.

Part of ACS Nano, p. 4347-4356, 2021.

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Behavior of intrinsic defects in BaF2 under uniaxial compressions: An ab initio investigation

Dai, Jingjing; Hu, Qingdan; Sun, Weiwei; Hu, Chunfeng et al.

Part of Materials Today Communications, 2021.

DOI for Behavior of intrinsic defects in BaF2 under uniaxial compressions: An ab initio investigation

Bio-acceptable 0D and 1D ZnO nanostructures for cancer diagnostics and treatment

Ortiz-Casas, Brandon; Galdamez-Martinez, Andres; Gutierrez-Flores, Jorge; Baca Ibanez, Andres et al.

Part of Materials Today, p. 533-569, 2021.

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Biocompatibility of an additively manufactured zirconium-based bulk metallic glass: Effect of surface roughness on osteoblastic cell response

Marattukalam, JJ.; Larsson, L.; Hjörvarsson, Björgvin; Ferraz, Natalia et al.

Part of Swedish Arena for Metal Additive Manufacturing 2021., 2021.

Can experiment determine the stacking fault energy of metastable alloys?

Sun, Xun; Lu, Song; Xie, Ruiwen; An, Xianghai et al.

Part of Materials & design, 2021.

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Carbon dioxide reduction mechanism on Ru-based electrocatalysts [Ru(bpy)(2)(CO)(2)](2+): insights from first-principles theory

Damas, Giane; Ivashchenko, Dmytro A.; Rivalta, Ivan; Araujo, Moyses

Part of Sustainable Energy & Fuels, p. 6066-6076, 2021.

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Carbon Nitride Monolayers as Efficient Immobilizers toward Lithium Selenides: Potential Applications in Lithium-Selenium Batteries

Deshpande, Swapnil S.; Deshpande, Mrinalini D.; Alhameedi, Khidhir; Ahuja, Rajeev et al.

Part of ACS Applied Energy Materials, p. 3891-3904, 2021.

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Cascade of replica bands in flat-band systems: Predictions for twisted bilayer graphene

Schrodi, Fabian; Aperis, Alex; Oppeneer, Peter M.

Part of Physical Review B, 2021.

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Catalyzing Bond-Dissociation in Graphene via Alkali-Iodide Molecules

Vats, Nilesh; Negi, Devendra S.; Singh, Deobrat; Sigle, Wilfried et al.

Part of Small, 2021.

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Charge Redistribution and Spin Polarization Driven by Correlation Induced Electron Exchange in Chiral Molecules

Fransson, Jonas

Part of Nano Letters, p. 3026-3032, 2021.

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Charge transfer driven interaction of CH₄, CO₂ and NH₃ with TiS₂ monolayer: Influence of vacancy defect

Das, Tisita; Chakraborty, Sudip; Ahuja, Rajeev; Kawazoe, Yoshiyuki et al.

Part of Catalysis Today, p. 189-195, 2021.

DOI for Charge transfer driven interaction of CH₄, CO₂ and NH₃ with TiS₂ monolayer: Influence of vacancy defect

Cobalt tetraphosphate as an efficient bifunctional electrocatalyst for hybrid sodium-air batteries

Murugesan, Chinnasamy; Panjalingam, Sathiya Priya; Lochab, Shubham; Rai, Rajeev Kumar et al.

Part of Nano Energy, 2021.

DOI for Cobalt tetraphosphate as an efficient bifunctional electrocatalyst for hybrid sodium-air batteries

Coexisting commensurate and incommensurate charge ordered phases in CoO

Negi, Devendra; Singh, Deobrat; Ahuja, Rajeev; van Aken, Peter A.

Part of Scientific Reports, 2021.

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Comparative study of state-of-the-art matrix-product-state methods for lattice models with large local Hilbert spaces without U(1) symmetry

Stolpp, Jan; Köhler, Thomas; Manmana, Salvatore R.; Jeckelmann, Eric et al.

Part of Computer Physics Communications, 2021.

DOI for Comparative study of state-of-the-art matrix-product-state methods for lattice models with large local Hilbert spaces without U(1) symmetry

Comparison of high temperature growth versus post-deposition in situ annealing in attaining very low Gilbert damping in sputtered Co2FeAl Heusler alloy films

Hait, Soumyarup; Husain, Sajid; Barwal, Vineet; Gupta, Nanhe Kumar et al.

Part of Journal of Magnetism and Magnetic Materials, 2021.

DOI for Comparison of high temperature growth versus post-deposition in situ annealing in attaining very low Gilbert damping in sputtered Co2FeAl Heusler alloy films

Complex magnetic textures in Ni/Ir-n/Pt(111) ultrathin films

Carvalho, P. C.; Miranda, I. P.; Klautau, A. B.; Bergman, Anders et al.

Part of Physical Review Materials, 2021.

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Composition and temperature dependence of α₂ phase decomposition in high Nb-containing lamellar gamma-TiAl alloys: Experiments and first-principles calculations

Dai, Cheng-ren; Yang, Zhi-biao; Sun, Jian; Lu, Song et al.

Part of Acta Materialia, 2021.

DOI for Composition and temperature dependence of α₂ phase decomposition in high Nb-containing lamellar gamma-TiAl alloys: Experiments and first-principles calculations

Computational identification of efficient 2D Aluminium chalcogenides monolayers for optoelectronics and photocatalysts applications

Haman, Zakaryae; Khossossi, Nabil; Kibbou, Moussa; Bouziani, Ilyas et al.

Part of Applied Surface Science, 2021.

DOI for Computational identification of efficient 2D Aluminium chalcogenides monolayers for optoelectronics and photocatalysts applications

Edin, Emil

Computational Insights into Atomic Scale Wear Processes in Cemented Carbides

2021.

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Confinement-induced zero-bias peaks in conventional superconductor hybrids

Cayao, Jorge; Burset, Pablo

Part of Physical Review B, 2021.

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Connection between magnetic interactions and the spin-wave gap of the insulating phase of NaOsO3

Ntallis, Nikolaos; Borisov, Vladislav; Kvashnin, Yaroslav; Thonig, Danny et al.

Part of Physical Review B, 2021.

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Constructing Numerical Methods For Solving The Guiding Equation In Bohmian Mechanics

Robert, Nilsson

2021.

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Construction of A-B heterolayer intermetallic crystals: Case studies of the 1144-phase TM-phosphides AB(TM)(4)P-4 (TM=Fe, Ru, Co, Ni)

Song, B. Q.; Xu, Mingyu; Borisov, Vladislav; Palasyuk, Olena et al.

Part of Physical Review Materials, 2021.

DOI for Construction of A-B heterolayer intermetallic crystals: Case studies of the 1144-phase TM-phosphides AB(TM)(4)P-4 (TM=Fe, Ru, Co, Ni)

Core-Level Binding Energy Reveals Hydrogen Bonding Configurations of Water Adsorbed on TiO2 (110) Surface

Kamal, C.; Stenberg, Nader; Walle, Lars Erik; Ragazzon, Davide et al.

Part of Physical Review Letters, 2021.

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Correlation between reduced dielectric loss and charge migration kinetics in NdFeO3-modified Ba0.7Sr0.3TiO3 ceramics

Kaur, Anumeet; Singh, Deobrat; Das, Arkaprava; Singh, Surinder et al.

Part of Journal of materials science. Materials in electronics, p. 24910-24929, 2021.

DOI for Correlation between reduced dielectric loss and charge migration kinetics in NdFeO3-modified Ba0.7Sr0.3TiO3 ceramics

Correlation of Yu-Shiba-Rusinov States and Kondo Resonances in Artificial Spin Arrays on an s-Wave Superconductor

Kamlapure, Anand; Cornils, Lasse; Zitko, Rok; Valentyuk, Maria et al.

Part of Nano Letters, p. 6748-6755, 2021.

DOI for Correlation of Yu-Shiba-Rusinov States and Kondo Resonances in Artificial Spin Arrays on an s-Wave Superconductor Download full text (pdf) of Correlation of Yu-Shiba-Rusinov States and Kondo Resonances in Artificial Spin Arrays on an s-Wave Superconductor

COVID-19 Vaccines and Thrombosis-Roadblock or Dead-End Street?

Lundstrom, Kenneth; Barh, Debmalya; Uhal, Bruce D.; Takayama, Kazuo et al.

Part of Biomolecules, 2021.

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Cs₂InGaX₆ (X=Cl, Br, or I): Emergent Inorganic Halide Double Perovskites with enhanced optoelectronic characteristics

Kibbou, M.; Haman, Z.; Bouziani, I.; Khossossi, Nabil et al.

Part of Current applied physics, p. 50-57, 2021.

DOI for Cs₂InGaX₆ (X=Cl, Br, or I): Emergent Inorganic Halide Double Perovskites with enhanced optoelectronic characteristics

Curvature-induced effects in semiconducting alkaline-earth metal silicide nanotubes

Alekseev, A. Yu; Migas, D. B.; Filonov, A. B.; Chernykh, A. G. et al.

Part of Physica. E, Low-Dimensional systems and nanostructures, 2021.

DOI for Curvature-induced effects in semiconducting alkaline-earth metal silicide nanotubes

Data-driven design of a new class of rare-earth free permanent magnets

Vishina, Alena; Hedlund, Daniel; Shtender, Vitalii; Delczeg-Czirjak, Erna K. et al.

Part of Acta Materialia, 2021.

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Data-Driven Studies of the Magnetic Anisotropy of Two-Dimensional Magnetic Materials

Xie, Yiqi; Tritsaris, Georgios A.; Grånäs, Oscar; Rhone, Trevor David

Part of Journal of Physical Chemistry Letters, p. 12048-12054, 2021.

DOI for Data-Driven Studies of the Magnetic Anisotropy of Two-Dimensional Magnetic Materials

Defect evolution behaviors from single sulfur point vacancies to line vacancies in monolayer molybdenum disulfide

Gao, Chan; Yang, Xiaoyong; Jiang, Ming; Chen, Lixin et al.

Part of Physical Chemistry, Chemical Physics - PCCP, p. 19525-19536, 2021.

DOI for Defect evolution behaviors from single sulfur point vacancies to line vacancies in monolayer molybdenum disulfide

Design of Continuous Transport of the Droplet by the Contact-Boiling Regime

Wang, Shanlin; Zhao, Xiaofeng; Wu, Xian; Zhang, Qingyu et al.

Part of Langmuir, p. 553-560, 2021.

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Determining factors for the nano-biocompatibility of cobalt oxide nanoparticles: proximal discrepancy in intrinsic atomic interactions at differential vicinage

Verma, Suresh K.; Panda, Pritam Kumar; Kumari, Puja; Patel, Paritosh et al.

Part of Green Chemistry, p. 3439-3458, 2021.

DOI for Determining factors for the nano-biocompatibility of cobalt oxide nanoparticles: proximal discrepancy in intrinsic atomic interactions at differential vicinage

Deterministic chaos and fractal entropy scaling in Floquet conformal field theories

Ageev, Dmitry S.; Bagrov, Andrey A.; Iliasov, Askar A.

Part of Physical Review B, 2021.

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Diamagnetic and paramagnetic Meissner effect from odd-frequency pairing in multiorbital superconductors

Parhizgar, Fariborz; Black-Schaffer, Annica M.

Part of Physical Review B, 2021.

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Difference between angular momentum and pseudoangular momentum

Streib, Simon

Part of Physical Review B, 2021.

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Direction-Sensitive Magnetophotonic Surface Crystals

Rowan-Robinson, Richard M.; Hurst, Jerome; Ciuciulkaite, Agne; Chioar, Ioan-Augustin et al.

Part of Advanced Photonics Research, 2021.

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Dislocation-Driven Relaxation Processes at the Conical to Helical Phase Transition in FeGe

Schoenherr, Peggy; Stepanova, Mariia; Lysne, Erik Nikolai; Kanazawa, Naoya et al.

Part of ACS Nano, p. 17508-17514, 2021.

DOI for Dislocation-Driven Relaxation Processes at the Conical to Helical Phase Transition in FeGe

Disorder-robust p-wave pairing with odd-frequency dependence in normal metal-conventional superconductor junctions

Löthman, Tomas; Triola, Christopher; Cayao, Jorge; Black-Schaffer, Annica M.

Part of Physical Review B, 2021.

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Dissociation of air pollutants on the uniform surface of pentagonal BeP2

Lakhani, Krupa; Kansara, Shivam; Gupta, Sanjeev K.; Sonvane, Yogesh et al.

Part of Applied Surface Science, 2021.

DOI for Dissociation of air pollutants on the uniform surface of pentagonal BeP2

Distinguishing between Similar Miniproteins with Single-Molecule Nanopore Sensing: A Computational Study

Cardoch, Sebastian; Timneanu, Nicusor; Caleman, Carl; Scheicher, Ralph H.

Part of ACS Nanoscience Au, p. 119-127, 2021.

DOI for Distinguishing between Similar Miniproteins with Single-Molecule Nanopore Sensing: A Computational Study

Distinguishing trivial and topological zero-energy states in long nanowire junctions

Cayao, Jorge; Black-Schaffer, Annica M.

Part of Physical Review B, 2021.

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Diverse structural and electronic properties of pentagonal SiC2 nanoribbons: A first-principles study

Mi, Tran Yen; Khanh, Nguyen Duy; Ahuja, Rajeev; Tien, Nguyen Thanh

Part of Materials Today Communications, 2021.

DOI for Diverse structural and electronic properties of pentagonal SiC2 nanoribbons: A first-principles study

Drastic reduction of thermal conductivity in hexagonal AX (A = Ga, In & Tl, X = S, Se & Te) monolayers due to alternative atomic configuration

Majumdar, Arnab; Chowdhury, Suman; Ahuja, Rajeev

Part of Nano Energy, 2021.

DOI for Drastic reduction of thermal conductivity in hexagonal AX (A = Ga, In & Tl, X = S, Se & Te) monolayers due to alternative atomic configuration

Dynamic magnetoelastic boundary conditions and the pumping of phonons

Sato, Takuma; Yu, Weichao; Streib, Simon; Bauer, Gerrit E. W.

Part of Physical Review B, 2021.

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Esteban-Puyuelo, Raquel

Dynamics of excited electronic states in functional materials

2021.

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Effect of Charge Injection on the Conducting Filament of Valence Change Anatase TiO₂ Resistive Random Access Memory Device

Sahu, Mousam Charan; Mallik, Sameer Kumar; Sahoo, Sandhyarani; Gupta, Sanjeev K. et al.

Part of Journal of Physical Chemistry Letters, p. 1876-1884, 2021.

DOI for Effect of Charge Injection on the Conducting Filament of Valence Change Anatase TiO₂ Resistive Random Access Memory Device

Effect of Electronic Exchange-Correlation Interaction in the Physics of Ion Insertion in Organic Salts

Alhanash, Mirna

2021.

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Effect of Geological Formations on Thermal Performance Modelling of a Deep Borehole

Karabetoglu, Sevan; Ozturk, Z Fatih; Kaslilar, Ayse; Juhlin, Christopher et al.

2021.

Effect of layered geological structures on borehole heat transfer

Karabetoglu, Sevan; Ozturk, Z. Fatih; Kaslilar, Ayse; Juhlin, Christopher et al.

Part of Geothermics, 2021.

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Effect of strain on generalized stacking fault energies and plastic deformation modes in fcc-hcp polymorphic high-entropy alloys: A first-principles investigation

Schonecker, Stephan; Li, Wei; Vitos, Levente; Li, Xiaoqing

Part of Physical Review Materials, 2021.

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Effect of the Niobium Doping Concentration on the Charge Storage Mechanism of Mesoporous Anatase Beads as an Anode for High-Rate Li-Ion Batteries

Cavallo, Carmen; Calcagno, Giulio; Pereira de Carvalho, Rodrigo; Sadd, Matthew et al.

Part of ACS Applied Energy Materials, p. 215-225, 2021.

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Effects of Atorvastatin on T-Cell Activation and Apoptosis in Systemic Lupus Erythematosus and Novel Simulated Interactions With C-Reactive Protein and Interleukin 6

Sun, Jitong; Panda, Pritam Kumar; Samal, Shailesh Kumar; Ahuja, Rajeev et al.

Part of ACR Open Rheumatology, p. 642-653, 2021.

DOI for Effects of Atorvastatin on T-Cell Activation and Apoptosis in Systemic Lupus Erythematosus and Novel Simulated Interactions With C-Reactive Protein and Interleukin 6 Download full text (pdf) of Effects of Atorvastatin on T-Cell Activation and Apoptosis in Systemic Lupus Erythematosus and Novel Simulated Interactions With C-Reactive Protein and Interleukin 6

Effects of bipolarons on oxidation states, and the electronic and optical properties of W18O49

Migas, D. B.; Filonov, A. B.; Skorodumova, Natalia V.

Part of Physical Chemistry, Chemical Physics - PCCP, p. 25824-25829, 2021.

DOI for Effects of bipolarons on oxidation states, and the electronic and optical properties of W18O49

Efficient and flexible approach to simulate low-dimensional quantum lattice models with large local Hilbert spaces

Köhler, Thomas; Stolpp, Jan; Paeckel, Sebastian

Part of SciPost Physics, 2021.

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Efficient numerical method for evaluating normal and anomalous time-domain equilibrium Green's functions in inhomogeneous systems

Löthman, Tomas; Triola, Christopher; Cayao, Jorge; Black-Schaffer, Annica M.

Part of Physical Review B, 2021.

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Elastic constants, electronic structures and thermal conductivity of monolayer XO2 (X = Ni, Pd, Pt)

Wen-Yu, Fang; Yue, Chen; Pan, Ye; Hao-Ren, Wei et al.

Part of Wuli xuebao, 2021.

DOI for Elastic constants, electronic structures and thermal conductivity of monolayer XO2 (X = Ni, Pd, Pt)

Electric Field-Modulated Charge Transfer in Geometrically Tailored MoX2/WX2 (X = S, Se) Heterostructures

Sahoo, Sandhyarani; Sahu, Mousam Charan; Mallik, Sameer Kumar; Sharma, Neha Kapila et al.

Part of The Journal of Physical Chemistry C, p. 22360-22369, 2021.

DOI for Electric Field-Modulated Charge Transfer in Geometrically Tailored MoX2/WX2 (X = S, Se) Heterostructures

Electrically tunable band gap in strained h-BN/silicene van der Waals heterostructures

de Vargas, Douglas D.; Köhler, Mateus H.; Baierle, Rogério J.

Part of Physical Chemistry, Chemical Physics - PCCP, p. 17033-17040, 2021.

DOI for Electrically tunable band gap in strained h-BN/silicene van der Waals heterostructures

Electron localization function implementation in the exact muffin-tin orbitals method

Levämäki, H.; Vitos, Levente

Part of Physical Review B, 2021.

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Electronic and Transport Properties of Bilayer Phosphorene Nanojunction: Effect of Paired Substitution Doping

Shukla, Vivekanand; Kumawat, Rameshwar L.; Jena, Naresh K.; Pathak, Biswarup et al.

Part of ACS APPLIED ELECTRONIC MATERIALS, p. 733-742, 2021.

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Electronic, optical and thermoelectric properties of two-dimensional pentagonal SiGeC4 nanosheet for photovoltaic applications: First-principles calculations

Bouziani, I.; Haman, Z.; Kibbou, M.; Essaoudi, I. et al.

Part of Superlattices and Microstructures, 2021.

DOI for Electronic, optical and thermoelectric properties of two-dimensional pentagonal SiGeC4 nanosheet for photovoltaic applications: First-principles calculations

ELECTRONIC STRUCTURE AND THERMODYNAMIC PROPERTIES OF LI-IONINSERTION IN SULFONAMIDES COMPOUNDS AS ORGANIC HIGH-ENERGY DENSITY CATHODES

Alhanash, Mirna

2021.

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Electron-Phonon Coupling and Electron-Phonon Scattering in SrVO3

Mirjolet, Mathieu; Rivadulla, Francisco; Marsik, Premysl; Borisov, Vladislav et al.

Part of Advanced Science, 2021.

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Element-Specific Magnetization Dynamics in Co-Pt Alloys Induced by Strong Optical Excitation

Vaskivskyi, Igor; Malik, Rameez Saeed; Salemi, Leandro; Turenne, Diego et al.

Part of The Journal of Physical Chemistry C, p. 11714-11721, 2021.

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Enhanced overall water splitting under visible light of MoSSe vertical bar WSSe heterojunction by lateral interfacial engineering

Yang, Xiaoyong; Wärnå, John P.A.; Wang, Jing; Zhang, Ping et al.

Part of Journal of Catalysis, p. 18-31, 2021.

DOI for Enhanced overall water splitting under visible light of MoSSe vertical bar WSSe heterojunction by lateral interfacial engineering

Enhanced Oxygen Evolution Reaction with a Ternary Hybrid of Patronite-Carbon Nanotube-Reduced Graphene Oxide: A Synergy between Experiments and Theory

Samantara, Aneeya K.; Das, Jiban K.; Ratha, Satyajit; Jena, Naresh K. et al.

Part of ACS Applied Materials and Interfaces, p. 35828-35836, 2021.

DOI for Enhanced Oxygen Evolution Reaction with a Ternary Hybrid of Patronite-Carbon Nanotube-Reduced Graphene Oxide: A Synergy between Experiments and Theory

Enhancing energy storage efficiency of lithiated carbon nitride (C7N6) monolayers under co-adsorption of H-2 and CH4

Panigrahi, Puspamitra; Acharya, Dilip; Selvi, Sheeba Rathina; Ahuja, Rajeev et al.

Part of International journal of hydrogen energy, p. 19988-19997, 2021.

DOI for Enhancing energy storage efficiency of lithiated carbon nitride (C7N6) monolayers under co-adsorption of H-2 and CH4

Enthalpy stabilization of superconductivity in an alloying S-P-H system: First-principles cluster expansion study under high pressure

Tsuppayakorn-aek, Prutthipong; Phansuke, Piya; Kaewtubtim, Pungtip; Ahuja, Rajeev et al.

Part of Computational materials science, 2021.

DOI for Enthalpy stabilization of superconductivity in an alloying S-P-H system: First-principles cluster expansion study under high pressure

Equation of motion truncation scheme based on partial orthogonalization

Catalano, Francesco; Nilsson, Johan

Part of European Physical Journal B, 2021.

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Evolution of Spatial Political Community Structures in Sweden 1985–2018

Michaud, Jérôme; Mäkinen, Ilkka Henrik; Frisk, Emil; Szilva, Attila

Part of Complex Networks & Their Applications IX, p. 275-285, 2021.

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Exchange constants for local spin Hamiltonians from tight-binding models

Streib, Simon; Szilva, Attila; Borisov, Vladislav; Pereiro, Manuel et al.

Part of Physical Review B, 2021.

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Exploring Janus MoSSe monolayer as a workable media for SOF6 decompositions sensing based on DFT calculations

Yang, Xiao-Yong; Hussain, Tanveer; Wärnå, John; Xu, Zhitong et al.

Part of Computational materials science, 2021.

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Exploring multichannel superconductivity in ThFeAsN

Schrodi, Fabian; Cheenicode Kabeer, Fairoja; Aperis, Alex; Oppeneer, Peter M.

Part of Physical Review B, 2021.

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Fabrication of BP2T functionalized graphene via non-covalent π-π stacking interactions for enhanced ammonia detection

Li, Hu; Duan, Tianbo; Sher, Omer; Han, Yuanyuan et al.

Part of RSC Advances, p. 35982-35987, 2021.

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Floquet engineering bulk odd-frequency superconducting pairs

Cayao, Jorge; Triola, Christopher; Black-Schaffer, Annica M.

Part of Physical Review B, 2021.

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Formation of Lightweight Ternary Polyhydrides and Their Hydrogen Storage Mechanism

Pluengphon, Prayoonsak; Tsuppayakorn-aek, Prutthipong; Inceesungvorn, Burapat; Ahuja, Rajeev et al.

Part of The Journal of Physical Chemistry C, p. 1723-1730, 2021.

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Fractional integral representation in statistical thermodynamics of confined systems

Sisman, Altug; Fransson, Jonas

Part of Physical review. E, 2021.

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Frequency-Independent Terahertz Anomalous Hall Effect in DyCo5, Co32Fe68, and Gd27Fe73 Thin Films from DC to 40 THz

Seifert, Tom S.; Martens, Ulrike; Radu, Florin; Ribow, Mirkow et al.

Part of Advanced Materials, 2021.

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Frequency-resolved frozen phonon multislice method and its application to vibrational electron energy loss spectroscopy using parallel illumination

Zeiger, Paul; Rusz, Jan

Part of Physical Review B, 2021.

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From Monolayers to Nanotubes: Toward Catalytic Transition-Metal Dichalcogenides for Hydrogen Evolution Reaction

Cardoso, Gunther Luft; Piquini, Paulo Cesar; Ahuja, Rajeev

Part of Energy & Fuels, p. 6282-6288, 2021.

DOI for From Monolayers to Nanotubes: Toward Catalytic Transition-Metal Dichalcogenides for Hydrogen Evolution Reaction

Geometric and holonomic quantum computation

Zhang, Jiang; Kyaw, Thi Ha; Filipp, Stefan; Kwek, Leong Chuan et al.

2021.

H- and T-Li2O monolayers: Latest addition to 2D flatlands

Roondhe, Basant; Sanyal, Sankar P.; Jha, Prafulla K.; Ahuja, Rajeev et al.

Part of Applied Surface Science, 2021.

DOI for H- and T-Li2O monolayers: Latest addition to 2D flatlands

Harnessing the unique properties of MXenes for advanced rechargeable batteries

Singh, Deobrat; Shukla, Vivekanand; Khossossi, Nabil; Ainane, Abdelmajid et al.

Part of Journal of Physics, 2021.

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Heisenberg and anisotropic exchange interactions in magnetic materials with correlated electronic structure and significant spin-orbit coupling

Borisov, Vladislav; Kvashnin, Yaroslav; Ntallis, Nikolaos; Thonig, Danny et al.

Part of Physical Review B, 2021.

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High-order finite difference method for the Schrödinger equation on deforming domains

Ljungberg Rydin, Ylva; Mattsson, Ken; Werpers, Jonatan; Sjöqvist, Erik

Part of Journal of Computational Physics, 2021.

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High-Specific-Capacity and High-Performing Post-Lithium-Ion Battery Anode over 2D Black Arsenic Phosphorus

Khossossi, Nabil; Singh, Deobrat; Banerjee, Amitava; Luo, Wei et al.

Part of ACS Applied Energy Materials, p. 7900-7910, 2021.

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High-temperature superconductor of sodalite-like clathrate hafnium hexahydride

Tsuppayakorn-aek, Prutthipong; Phaisangittisakul, Nakorn; Ahuja, Rajeev; Bovornratanaraks, Thiti

Part of Scientific Reports, 2021.

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High-throughput compatible approach for entropy estimation in magnetocaloric materials: FeRh as a test case

Vieira, Rafael Martinho; Eriksson, Olle; Bergman, Anders; Herper, Heike C.

Part of Journal of Alloys and Compounds, 2021.

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How to avoid dendrite formation in metal batteries: Innovative strategies for dendrite suppression

Aslam, Muhammad Kashif; Niu, Yubin; Hussain, Tanveer; Tabassum, Hassina et al.

Part of Nano Energy, 2021.

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Hydrogenation and oxidation enhances the thermoelectric performance of Si₂BN monolayer

Mahida, H. R.; Singh, Deobrat; Sonvane, Yogesh; Gupta, Sanjeev K. et al.

Part of New Journal of Chemistry, p. 3892-3900, 2021.

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Ideal superelasticity in Ni-based Heusler alloys

Cao, Peiyu; Tian, Fuyang; Li, Wei; Vitos, Levente et al.

Part of Acta Materialia, 2021.

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Impact of stacking on the optoelectronic properties of 2D ZrS₂/GaS heterostructure

Patel, Abhishek; Singh, Deobrat; Sonvane, Yogesh; Thakor, P. B. et al.

Part of Materials today, p. 526-528, 2021.

DOI for Impact of stacking on the optoelectronic properties of 2D ZrS₂/GaS heterostructure

In Situ Pseudopotentials for Electronic Structure Theory

Björnson, Kristofer; Wills, John Michael; Alouani, Mebarek; Grånäs, Oscar et al.

Part of The Journal of Physical Chemistry C, p. 15103-15111, 2021.

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Induced odd-frequency superconducting state in vertex-corrected Eliashberg theory

Schrodi, Fabian; Aperis, Alex; Oppeneer, Peter M.

Part of Physical Review B, 2021.

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Influence of intersublattice coupling on the terahertz nutation spin dynamics in antiferromagnets

Mondal, Ritwik; Oppeneer, Peter M.

Part of Physical Review B, 2021.

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Influence of phonon renormalization in Eliashberg theory for superconductivity in two- and three-dimensional systems

Schrodi, Fabian; Aperis, Alex; Oppeneer, Peter M.

Part of Physical Review B, 2021.

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Intrinsic atomic interaction at molecular proximal vicinity infer cellular biocompatibility of antibacterial nanopepper

Jha, Ealisha; Panda, Pritam Kumar; Patel, Paritosh; Kumari, Puja et al.

Part of Nanomedicine, p. 307-322, 2021.

DOI for Intrinsic atomic interaction at molecular proximal vicinity infer cellular biocompatibility of antibacterial nanopepper

Invariant plastic deformation mechanism in paramagnetic nickel-iron alloys

Dong, Zhihua; Li, Wei; Schoenecker, Stephan; Jiang, Bin et al.

Part of Proceedings of the National Academy of Sciences of the United States of America, 2021.

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Investigating hollandite-perovskite composite ceramics as a potential waste form for immobilization of radioactive cesium and strontium

Ma, Jiang; Fang, Zhiwei; Yang, Xiaoyong; Wang, Bo et al.

Part of Journal of Materials Science, p. 9644-9654, 2021.

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Kinetic samplers for neural quantum states

Bagrov, Andrey A.; Iliasov, Askar A.; Westerhout, Tom

Part of Physical Review B, 2021.

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Large-Scale Fabrication of Wettability-Controllable Coatings for Optimizing Condensate Transfer Ability

Wang, Shanlin; Zhao, Xiaofeng; Teng, Yuancheng; Chen, Xintao et al.

Part of Langmuir, p. 2476-2484, 2021.

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Large-Scale Screening of Interface Parameters in the WC/W System Using Classical Force Field and First-Principles Calculations

Edin, Emil; Blomqvist, Andreas; Luo, Wei; Ahuja, Rajeev

Part of The Journal of Physical Chemistry C, p. 3631-3639, 2021.

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Lithium-functionalized boron phosphide nanotubes (BPNTs) as an efficient hydrogen storage carrier

Luft Cardoso, Günther; Piquini, Paulo Cesar; Khossossi, Nabil; Ahuja, Rajeev

Part of International journal of hydrogen energy, p. 20586-20593, 2021.

DOI for Lithium-functionalized boron phosphide nanotubes (BPNTs) as an efficient hydrogen storage carrier

Local electrocatalytic activity of PtRu supported on nitrogen-doped carbon nanotubes towards methanol oxidation by scanning electrochemical microscopy

Gupta, Divyani; Chakraborty, Sudip; Amorim, Rodrigo G.; Ahuja, Rajeev et al.

Part of Journal of Materials Chemistry A, p. 21291-21301, 2021.

DOI for Local electrocatalytic activity of PtRu supported on nitrogen-doped carbon nanotubes towards methanol oxidation by scanning electrochemical microscopy

Local structural evolution in the anionic solid solution ZnSe_xS_1-x

Dan, Tinku; Mohanty, Ashutosh; Dutta, Anirban; Varma, Rahul Mahavir et al.

Part of Physical Review B, 2021.

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Magnetic Damping in Polycrystalline Thin-Film Fe-V Alloys

Arora, Monika; Delczeg-Czirjak, Erna K.; Riley, Grant; Silva, T. J. et al.

Part of Physical Review Applied, 2021.

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Magnetic exchange interactions in yttrium iron garnet: A fully relativistic first-principles investigation

Gorbatov, O. , I; Johansson, G.; Jakobsson, A.; Mankovsky, S. et al.

Part of Physical Review B, 2021.

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Magnetocaloric properties of melt-spun MnFe-rich high-entropy alloy

Huang, Shuo; Dong, Zhihua; Mu, Wangzhong; Stroem, Valter et al.

Part of Applied Physics Letters, 2021.

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Magnon-magnon entanglement and its quantification via a microwave cavity

Mousolou, Vahid Azimi; Liu, Yuefei; Bergman, Anders; Delin, Anna et al.

Part of Physical Review B, 2021.

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Majority gate for two-dimensional ferromagnets lacking inversion symmetry

Ntallis, Nikolaos; Bergman, Anders; Delin, Anna; Eriksson, Olle et al.

Part of Physical Review Research, 2021.

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Manipulation of Stacking Order in Td-WTe2 by Ultrafast Optical Excitation

Ji, Shaozheng; Grånäs, Oscar; Weissenrieder, Jonas

Part of ACS Nano, p. 8826-8835, 2021.

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Material informatics for uranium-bearing equiatomic disordered solid solution alloys

Huang, He; Wang, Xin; Shi, Jie; Huang, Huogen et al.

Part of Materials Today Communications, 2021.

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Mechanism of formaldehyde and formic acid formation on (101)-TiO2@Cu-4 systems through CO2 hydrogenation

Singh, Deobrat; Gupta, Sanjeev K.; Seriani, Nicola; Lukacevic, Igor et al.

Part of Sustainable Energy & Fuels, p. 564-574, 2021.

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Mechanisms behind large Gilbert damping anisotropies

Miranda, I. P.; Klautau, A. B.; Bergman, Anders; Thonig, Danny et al.

Part of Physical Review B, 2021.

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Mechanistic Understanding of the Interactions and Pseudocapacitance of Multi-Electron Redox Organic Molecules Sandwiched between MXene Layers

Boota, Muhammad; Hussain, Tanveer; Yang, Long; Becuwe, Matthieu et al.

Part of Advanced Electronic Materials, 2021.

DOI for Mechanistic Understanding of the Interactions and Pseudocapacitance of Multi-Electron Redox Organic Molecules Sandwiched between MXene Layers

Metallic one-dimensional heterostructure for gas molecule sensing

Bhuyan, Prabal Dev; Gupta, Sanjeev K.; Ahuja, Rajeev; Gajjar, P. N.

Part of Scientific Reports, 2021.

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MnxCr0.3Fe0.5Co0.2Ni0.5Al0.3 high entropy alloys for magnetocaloric refrigeration near room temperature

Dong, Zhihua; Huang, Shuo; Ström, Valter; Chai, Guocai et al.

Part of Journal of Materials Science & Technology, p. 15-20, 2021.

DOI for MnxCr0.3Fe0.5Co0.2Ni0.5Al0.3 high entropy alloys for magnetocaloric refrigeration near room temperature

Modulation of 2D GaS/BTe vdW heterostructure as an efficient HER catalyst under external electric field influence

Singh, Deobrat; Khossossi, Nabil; Ainane, Abdelmajid; Ahuja, Rajeev

Part of Catalysis Today, p. 14-25, 2021.

DOI for Modulation of 2D GaS/BTe vdW heterostructure as an efficient HER catalyst under external electric field influence

Molecular toxicity of Benzo(a)pyrene mediated by elicited oxidative stress infer skeletal deformities and apoptosis in embryonic zebrafish

Elfawy, Hasnaa A.; Anupriya, S.; Mohanty, Swabhiman; Patel, Paritosh et al.

Part of Science of the Total Environment, 2021.

DOI for Molecular toxicity of Benzo(a)pyrene mediated by elicited oxidative stress infer skeletal deformities and apoptosis in embryonic zebrafish

Monolayer CrCl3 as an Ideal Test Bed for the Universality Classes of 2D Magnetism

Dupont, M.; Kvashnin, Yaroslav; Shiranzaei, Mahroo; Fransson, Jonas et al.

Part of Physical Review Letters, 2021.

DOI for Monolayer CrCl3 as an Ideal Test Bed for the Universality Classes of 2D Magnetism

MXene binder stabilizes pseudocapacitance of conducting polymers

Boota, Muhammad; Jung, Euiyeon; Ahuja, Rajeev; Hussain, Tanveer

Part of Journal of Materials Chemistry A, p. 20356-20361, 2021.

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Nanoparticle-biological interactions: the renaissance of bionomics in the myriad nanomedical technologies

Panda, Pritam Kumar; Verma, Suresh K.; Suar, Mrutyunjay

Part of Nanomedicine, p. 2249-2254, 2021.

DOI for Nanoparticle-biological interactions: the renaissance of bionomics in the myriad nanomedical technologies

Nature of the magnetic moment of cobalt in ordered FeCo alloy

Gerasimov, Arsenii; Nordström, Lars; Khmelevskyi, Sergii; Mazurenko, Vladimir V. et al.

Part of Journal of Physics, 2021.

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Nematic superconductivity in magic-angle twisted bilayer graphene from atomistic modeling

Löthman, Tomas; Schmidt, Johann; Parhizgar, Fariborz; Black-Schaffer, Annica M.

2021.

Nitrogen-Containing Gas Sensing Properties of 2-D Ti₂N and Its Derivative Nanosheets: Electronic Structures Insight

Zhang, Hongni; Du, Wenzheng; Zhang, Jianjun; Ahuja, Rajeev et al.

Part of Nanomaterials, 2021.

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NMR Refinement and Peptide Folding Using the GROMACS Software

Sinelnikova, Anna; Van der Spoel, David

Part of Journal of Biomolecular NMR, p. 143-149, 2021.

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Novel green phosphorene as a superior chemical gas sensing material

Kaewmaraya, T.; Ngamwongwan, L.; Moontragoon, P.; Jarernboon, W. et al.

Part of Journal of Hazardous Materials, 2021.

DOI for Novel green phosphorene as a superior chemical gas sensing material

Odd-frequency pair density wave correlations in underdoped cuprates

Chakraborty, Debmalya; Black-Schaffer, Annica M.

Part of New Journal of Physics, 2021.

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One dimensional Au-ZnO hybrid nanostructures based CO2 detection: Growth mechanism and role of the seed layer on sensing performance

Gonzalez-Garnica, Marisol; Galdamez-Martinez, Andres; Malagon, Francisco; Ramos, C. D. et al.

Part of Sensors and actuators. B, Chemical, 2021.

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Orbital and electronic entanglement in quantum teleportation schemes

Galler, Anna; Thunström, Patrik

Part of Physical Review Research, 2021.

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Orbital occupancy and hybridization in strained SrVO3 epitaxial films

Mirjolet, Mathieu; Vasili, Hari Babu; Valadkhani, Adrian; Santiso, Jose et al.

Part of Physical Review Materials, 2021.

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Orbital-dependent self-energy effects and consequences for the superconducting gap structure in multiorbital correlated electron systems

Björnson, Kristofer; Kreisel, Andreas; Römer, Astrid T.; Andersen, Brian M.

Part of Physical Review B, 2021.

DOI for Orbital-dependent self-energy effects and consequences for the superconducting gap structure in multiorbital correlated electron systems

Osteoblastic cell response to an additively manufactured zirconium-based bulk metallic glass

Marattukalam, JJ; Larsson, L; Hjörvarsson, Björgvin; Ferraz, Natalia et al.

Part of 31^st Conference of the European Society for Biomaterials., 2021.

Overview of key molecular and pharmacological targets for diabetes and associated diseases

Shahcheraghi, Seyed Hossein; Aljabali, Alaa A. A.; Al Zoubi, Mazhar S.; Mishra, Vijay et al.

Part of Life Sciences, 2021.

DOI for Overview of key molecular and pharmacological targets for diabetes and associated diseases

Parameterization of magnetic vector potentials and fields for efficient multislice calculations of elastic electron scattering

Lyon, Keenan; Rusz, Jan

Part of ACTA CRYSTALLOGRAPHICA A - FOUNDATION AND ADVANCES, p. 509-518, 2021.

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Perpendicular and In-Plane Hole Asymmetry in a Strained NiFe₂O₄ film

Knut, Ronny; Malik, Rameez Saeed; Kons, C.; Shoup, J. et al.

Part of Journal of Physics, 2021.

DOI for Perpendicular and In-Plane Hole Asymmetry in a Strained NiFe₂O₄ film

Phase Diagrams of Finite Spin Chains with Coupled Spin and Lattice Vibrations

Berge, Siri Alva

2021.

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Phonon-mode specific contributions to room-temperature superconductivity in atomic hydrogen at high pressures

Verma, Ashok K.; Modak, P.; Schrodi, Fabian; Aperis, Alex et al.

Part of Physical Review B, 2021.

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Phonon-modulated x-ray absorption in SrTiO3

Hoecht, Jonas

2021.

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Photoelectron dispersion in metallic and insulating VO2 thin films

Jonsson, Viktor; Piazza, Luca; Mansson, Martin; Weissenrieder, Jonas et al.

Part of Physical Review Research, 2021.

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Sinelnikova, Anna

Polymer and Protein Physics: Simulations of Interactions and Dynamics

2021.

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Polypeptoid Material as an Anchoring Material for Li-S Batteries

Singh, Deobrat; Ahuja, Rajeev

Part of ACS Applied Energy Materials, p. 13070-13076, 2021.

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Potential SiX (X = N, P, As, Sb, Bi) homo-bilayers for visible-light photocatalyst applications

Somaiya, Radha N.; Singh, Deobrat; Sonvane, Yogesh; Gupta, Sanjeev K. et al.

Part of Catalysis Science & Technology, p. 4996-5013, 2021.

DOI for Potential SiX (X = N, P, As, Sb, Bi) homo-bilayers for visible-light photocatalyst applications

Predicting grain boundary energies of complex alloys from ab initio calculations

Li, Changle; Lu, Song; Vitos, Levente

Part of Scripta Materialia, 2021.

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Prediction of an unusual trigonal phase of superconducting LaH10 stable at high pressures

Verma, Ashok K.; Modak, Paritosh; Schrodi, Fabian; Aperis, Alex et al.

Part of Physical Review B, 2021.

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Prediction of half-metallic ferrimagnetic quadruple perovskites ACu(3)Fe(2)Re(2)O(12) (A = Ca, Sr, Ba, Pb, Sc, Y, La) with high Curie temperatures

Wang, Duo; Shaikh, Monirul; Ghosh, Saurabh; Sanyal, Biplab

Part of Physical Review Materials, 2021.

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Pressure-driven structural and spin-state transition in a Hofmann clathrate coordination polymer

Reddy, Indukuru Ramesh; Oppeneer, Peter M.; Tarafder, Kartick

Part of Journal of Magnetism and Magnetic Materials, 2021.

DOI for Pressure-driven structural and spin-state transition in a Hofmann clathrate coordination polymer

Pressure-induced order-disorder transitions in beta-In2S3: an experimental and theoretical study of structural and vibrational properties

Gallego-Parra, Samuel; Gomis, Oscar; Vilaplana, Rosario; Paula Cuenca-Gotor, Vanesa et al.

Part of Physical Chemistry, Chemical Physics - PCCP, p. 23625-23642, 2021.

DOI for Pressure-induced order-disorder transitions in beta-In2S3: an experimental and theoretical study of structural and vibrational properties

Pressure-promoted highly-ordered Fe-doped-Ni2B for effective oxygen evolution reaction and overall water splitting

Tian, Ruifeng; Zhao, Shijing; Li, Junkai; Chen, Zhibin et al.

Part of Journal of Materials Chemistry A, p. 6469-6475, 2021.

DOI for Pressure-promoted highly-ordered Fe-doped-Ni2B for effective oxygen evolution reaction and overall water splitting

Protein orientation in time-dependent electric fields: orientation before destruction

Sinelnikova, Anna; Mandl, Thomas; Agelii, Harald; Grånäs, Oscar et al.

Part of Biophysical Journal, p. 3709-3717, 2021.

DOI for Protein orientation in time-dependent electric fields: orientation before destruction Download full text (pdf) of Protein orientation in time-dependent electric fields: orientation before destruction

Pseudoelasticity of SrNi2P2 Micropillar via Double Lattice Collapse and Expansion

Xiao, Shuyang; Borisov, Vladislav; Gorgen-Lesseux, Guilherme; Rommel, Sarshad et al.

Part of Nano Letters, p. 7913-7920, 2021.

DOI for Pseudoelasticity of SrNi2P2 Micropillar via Double Lattice Collapse and Expansion

Quantifying Spin-Mixed States in Ferromagnets

Shaw, Justin M.; Knut, Ronny; Armstrong, Abigail; Bhandary, Sumanta et al.

Part of Physical Review Letters, 2021.

DOI for Quantifying Spin-Mixed States in Ferromagnets

Quantitative comparison of electrically induced spin and orbital polarizations in heavy-metal/3d-metal bilayers

Salemi, Leandro; Berritta, Marco; Oppeneer, Peter M.

Part of Physical Review Materials, 2021.

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Quantum shape oscillations in the thermodynamic properties of confined electrons in core–shell nanostructures

Aydin, Alhun; Fransson, Jonas; Sisman, Altug

Part of Journal of Physics, 2021.

DOI for Quantum shape oscillations in the thermodynamic properties of confined electrons in core–shell nanostructures

Reactivity Screening of Single Atoms on Modified Graphene Surface: From Formation and Scaling Relations to Catalytic Activity

Jovanovic, Aleksandar Z.; Mentus, Slavko V.; Skorodumova, Natalia V.; Pasti, Igor A.

Part of Advanced Materials Interfaces, 2021.

DOI for Reactivity Screening of Single Atoms on Modified Graphene Surface: From Formation and Scaling Relations to Catalytic Activity

Realizing ferromagnetic insulators in electron doped double perovskites Sr(2-x)AxMnVO(6); A = Sn, Bi

Rahmani, Neda; Ghazi, M. E.; Izadifard, Morteza; Sanyal, Biplab

Part of Journal of Magnetism and Magnetic Materials, 2021.

DOI for Realizing ferromagnetic insulators in electron doped double perovskites Sr(2-x)AxMnVO(6); A = Sn, Bi

Realizing nonadiabatic holonomic quantum computation beyond the three-level setting

Xu, Guofu; Zhao, Peizi; Sjöqvist, Erik; Tong, Dianmin

Part of Physical Review A. Atomic, Molecular, and Optical Physics, 2021.

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Recent Advancements in Nontoxic Halide Perovskites: Beyond Divalent Composition Space

Kumar, Dhirendra; Kaur, Jagjit; Mohanty, Prajna Parimita; Ahuja, Rajeev et al.

Part of ACS Omega, p. 33240-33252, 2021.

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Reduction of the sintering temperature and dielectric loss of the CCTO ceramic by doping tellurite glass

Tang, Jiayuan; Teng, Yuancheng; Chen, Yuan; Zhao, Xiaofeng et al.

Part of Ceramics International, p. 10006-10012, 2021.

DOI for Reduction of the sintering temperature and dielectric loss of the CCTO ceramic by doping tellurite glass

Remote Mesoscopic Signatures of Induced Magnetic Texture in Graphene

Arabchigavkani, N.; Somphonsane, R.; Ramamoorthy, H.; He, G. et al.

Part of Physical Review Letters, 2021.

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Reproducibility in the unfolding process of protein induced by an external electric field

Sinelnikova, Anna; Mandl, Thomas; Östlin, Christofer; Grånäs, Oscar et al.

Part of Chemical Science, p. 2030-2038, 2021.

DOI for Reproducibility in the unfolding process of protein induced by an external electric field Download full text (pdf) of Reproducibility in the unfolding process of protein induced by an external electric field

Löthman, Tomas

Robust Platforms for Superconductivity: Disorder Robustness and Topological Density of States Peaks

2021.

Download full text (pdf) of Löthman, Tomas

Role of atomicity in the oxygen reduction reaction activity of platinum sub nanometer clusters: A global optimization study

Nair, Akhil S.; Anoop, Anakuthil; Ahuja, Rajeev; Pathak, Biswarup

Part of Journal of Computational Chemistry, p. 1944-1958, 2021.

DOI for Role of atomicity in the oxygen reduction reaction activity of platinum sub nanometer clusters: A global optimization study

Role of defects in ultrafast charge recombination in monolayer MoS₂

Esteban-Puyuelo, Raquel; Sanyal, Biplab

Part of Physical Review B, 2021.

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Salt-assisted growth of monolayer MoS₂ for high-performance hysteresis-free field-effect transistor

Mallik, Sameer Kumar; Sahoo, Sandhyarani; Sahu, Mousam Charan; Gupta, Sanjeev K. et al.

Part of Journal of Applied Physics, 2021.

DOI for Salt-assisted growth of monolayer MoS₂ for high-performance hysteresis-free field-effect transistor

Selective decoration of nitrogenated holey graphene (C₂N) with titanium clusters for enhanced hydrogen storage application

Panigrahi, Puspamitra; Desai, Manish; Talari, Murali Krishna; Bae, Hyeonhu et al.

Part of International journal of hydrogen energy, p. 7371-7380, 2021.

DOI for Selective decoration of nitrogenated holey graphene (C₂N) with titanium clusters for enhanced hydrogen storage application