Publications

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

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

Part of Materials Today Advances, 2022.

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

A perspective on nonlinearities in coherent magnetization dynamics

Part of Applied Physics Letters, 2022.

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

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

Part of Journal of Power Sources, 2022.

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

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

Part of Nanotechnology, 2022.

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

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

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

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

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

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

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

Atomically sharp domain walls in an antiferromagnet

Part of Science Advances, 2022.

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

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

Part of MATERIALS TODAY BIO, 2022.

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Rakov, Mykhailo V.; Weyrauch, Michael

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

Part of Physical Review B, 2022.

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Fransson, Jonas

Charge and Spin Dynamics and Enantioselectivity in Chiral Molecules

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

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

Comment on "Proper and improper chiral magnetic interactions"

Part of Physical Review B, 2022.

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

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

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

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

Density Functional Theory Description of Paramagnetic Hexagonal Close-Packed Iron

Part of Materials, 2022.

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Singh, Deobrat; Ahuja, Rajeev

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

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

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

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

Part of NPJ QUANTUM MATERIALS, 2022.

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

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

Part of Scientific Reports, 2022.

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

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

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

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

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

Part of SURFACES AND INTERFACES, 2022.

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

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

Part of Physical Review B, 2022.

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

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

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

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

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

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

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

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

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

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

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

Part of Journal of Physics, 2022.

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

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

Part of Physical Review B, 2022.

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

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

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

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

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

Part of Physical Review B, 2022.

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Salemi, Leandro

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

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

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

Part of Materials & design, 2022.

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

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

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

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

Imaging of femtosecond bond breaking and charge dynamics in ultracharged peptides

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

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

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

Part of Applied Surface Science, 2022.

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

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

Part of Physical Review B, 2022.

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

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

Part of Journal of Alloys and Compounds, 2022.

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

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

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

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

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

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

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

Nanocarrier cancer therapeutics with functional stimuli-responsive mechanisms

Part of Journal of Nanobiotechnology, 2022.

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

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

Part of Communications Physics, 2022.

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

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

Part of Science Advances, 2022.

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

Observation of multiple nodal lines in SmSbTe

Part of Physical Review Materials, 2022.

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

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

Part of NPJ COMPUTATIONAL MATERIALS, 2022.

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

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

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

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Oppeneer, Peter M.; Kapaklis, Vassilios

Plasmonic lasers turn magnetic

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

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

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

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

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

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

Part of Journal of Alloys and Compounds, 2022.

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Majumdar, Arnab; Ahuja, Rajeev

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

Part of APPLIED MATERIALS TODAY, 2022.

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

Progress and challenges in layered two-dimensional hybrid perovskites

Part of Nanotechnology, 2022.

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

Pushing the limit of thermal conductivity of MAX borides and MABs

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

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

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

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

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

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

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

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

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

Part of Journal of Alloys and Compounds, 2022.

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

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

Part of Scientific Reports, 2022.

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

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

Part of Scientific Reports, 2022.

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

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

Part of Scientific Reports, 2022.

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

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

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

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

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

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

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

Thermodefect voltage in graphene nanoribbon junctions

Part of Journal of Physics, 2022.

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

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

Part of Journal of Physics D, 2022.

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

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

Part of Chemical Physics, 2022.

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Sandberg, Anna

Tight-bindning theory of superconductivity

2022.

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O. Alves, Gabriel

Time-optimal holonomic quantum computation

2022.

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Gregefalk, Anton; Sjöqvist, Erik

Transitionless quantum driving in spin echo

Part of Physical Review Applied, 2022.

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

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

Part of Journal of Physics D, 2022.

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

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

Part of JOURNAL OF POWER SOURCES ADVANCES, 2022.

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

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

Part of Applied Surface Science, 2022.

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Singh, Deobrat; Ahuja, Rajeev

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

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

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

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

Part of Physical Review B, 2022.

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

Universal quantum computation and quantum error correction using discrete holonomies

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

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

X-ray Induced Fragmentation of Protonated Cystine

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

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

2D MgF₂ nanosheet as a promising candidate for thermoelectric material

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

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

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

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

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

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

Part of Advanced Materials Interfaces, 2021.

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

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

Part of Physical Review B, 2021.

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

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

Part of Computational materials science, 2021.

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

A DMI Guide to Magnets Micro-World

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

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

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

Part of Computational and Theoretical Chemistry, 2021.

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

A Pt/MnV2O6 nanocomposite for the borohydride oxidation reaction

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

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

A spatial analysis of parliamentary elections in Sweden 1985-2018

Part of APPLIED NETWORK SCIENCE, 2021.

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

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

Part of Computers in Biology and Medicine, 2021.

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

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

Part of Physical Review B, 2021.

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

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

Part of Journal of Alloys and Compounds, 2021.

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

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

Part of Applied Physics Letters, 2021.

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Gregefalk, Anton

Adiabatic Shortcut to Geometric Quantum Computation in Noiseless Subsystems

2021.

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

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

Part of Journal of Physics, 2021.

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

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

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

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

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

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

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

Alloying effect on the order-disorder transformation in tetragonal FeNi

Part of Scientific Reports, 2021.

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

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

Part of MATERIALS TODAY BIO, 2021.

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

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

Part of Applied Physics Reviews, 2021.

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

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

Part of Physical Review B, 2021.

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

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

Part of Physical Review B, 2021.

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

Anisotropic ultrafast spin dynamics in epitaxial cobalt

Part of Applied Physics Letters, 2021.

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

Anisotropically large anomalous and topological Hall effect in a kagome magnet

Part of Physical Review B, 2021.

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

Antichiral ferromagnetism

Part of Physical Review B, 2021.

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

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

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

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

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

Part of Applied Surface Science, 2021.

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

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

Part of ISCIENCE, 2021.

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

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

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

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

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

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

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

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

Part of Advanced Functional Materials, 2021.

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

Autoimmunity roots of the thrombotic events after COVID-19 vaccination

Part of Autoimmunity Reviews, 2021.

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

Bain Deformation Mechanism and Lifshitz Transition in Magnesium under High Pressure

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

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

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

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

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

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

Part of Materials Today Communications, 2021.

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

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

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

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

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

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

To DiVA

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

Can experiment determine the stacking fault energy of metastable alloys?

Part of Materials & design, 2021.

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

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

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

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

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

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

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

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

Part of Physical Review B, 2021.

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

Catalyzing Bond-Dissociation in Graphene via Alkali-Iodide Molecules

Part of Small, 2021.

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Fransson, Jonas

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

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

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

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

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

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

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

Part of Nano Energy, 2021.

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

Coexisting commensurate and incommensurate charge ordered phases in CoO

Part of Scientific Reports, 2021.

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

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

Part of Computer Physics Communications, 2021.

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

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

Part of Journal of Magnetism and Magnetic Materials, 2021.

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

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

Part of Physical Review Materials, 2021.

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

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

Part of Acta Materialia, 2021.

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

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

Part of Applied Surface Science, 2021.

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Edin, Emil

Computational Insights into Atomic Scale Wear Processes in Cemented Carbides

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Cayao, Jorge; Burset, Pablo

Confinement-induced zero-bias peaks in conventional superconductor hybrids

Part of Physical Review B, 2021.

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

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

Part of Physical Review B, 2021.

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Robert, Nilsson

Constructing Numerical Methods For Solving The Guiding Equation In Bohmian Mechanics

2021.

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

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)

Part of Physical Review Materials, 2021.

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

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

Part of Physical Review Letters, 2021.

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

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

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

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

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

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

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

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

Part of Biomolecules, 2021.

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

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

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

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

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

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

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

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

Part of Acta Materialia, 2021.

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

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

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

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

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

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

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

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

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

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

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

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

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

Deterministic chaos and fractal entropy scaling in Floquet conformal field theories

Part of Physical Review B, 2021.

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Parhizgar, Fariborz; Black-Schaffer, Annica M.

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

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Streib, Simon

Difference between angular momentum and pseudoangular momentum

Part of Physical Review B, 2021.

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

Direction-Sensitive Magnetophotonic Surface Crystals

Part of Advanced Photonics Research, 2021.

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

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

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

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

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

Part of Physical Review B, 2021.

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

Dissociation of air pollutants on the uniform surface of pentagonal BeP2

Part of Applied Surface Science, 2021.

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Cayao, Jorge; Black-Schaffer, Annica M.

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

Part of Physical Review B, 2021.

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

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

Part of Materials Today Communications, 2021.

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Majumdar, Arnab; Chowdhury, Suman; Ahuja, Rajeev

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

Part of Nano Energy, 2021.

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

Dynamic magnetoelastic boundary conditions and the pumping of phonons

Part of Physical Review B, 2021.

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Esteban-Puyuelo, Raquel

Dynamics of excited electronic states in functional materials

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

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

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

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Alhanash, Mirna

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

2021.

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

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

2021.

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

Effect of layered geological structures on borehole heat transfer

Part of Geothermics, 2021.

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

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

Part of Physical Review Materials, 2021.

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

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

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

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

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

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

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

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

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

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Köhler, Thomas; Stolpp, Jan; Paeckel, Sebastian

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

Part of SciPost Physics, 2021.

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

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

Part of Physical Review B, 2021.

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

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

Part of Wuli xuebao, 2021.

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

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

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

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

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

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

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Levämäki, H.; Vitos, Levente

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

Part of Physical Review B, 2021.

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

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

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

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

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

Part of Superlattices and Microstructures, 2021.

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Alhanash, Mirna

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

2021.

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

Electron-Phonon Coupling and Electron-Phonon Scattering in SrVO3

Part of Advanced Science, 2021.

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

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

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

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

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

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

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

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

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

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

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

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

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

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

Part of Computational materials science, 2021.

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Catalano, Francesco; Nilsson, Johan

Equation of motion truncation scheme based on partial orthogonalization

Part of European Physical Journal B, 2021.

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

Evolution of Spatial Political Community Structures in Sweden 1985–2018

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

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

Exchange constants for local spin Hamiltonians from tight-binding models

Part of Physical Review B, 2021.

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

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

Part of Computational materials science, 2021.

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

Exploring multichannel superconductivity in ThFeAsN

Part of Physical Review B, 2021.

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

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

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

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

Floquet engineering bulk odd-frequency superconducting pairs

Part of Physical Review B, 2021.

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

Formation of Lightweight Ternary Polyhydrides and Their Hydrogen Storage Mechanism

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

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Sisman, Altug; Fransson, Jonas

Fractional integral representation in statistical thermodynamics of confined systems

Part of Physical review. E, 2021.

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

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

Part of Advanced Materials, 2021.

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Zeiger, Paul; Rusz, Jan

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

Part of Physical Review B, 2021.

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

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

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

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

Geometric and holonomic quantum computation

2021.

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

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

Part of Applied Surface Science, 2021.

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

Harnessing the unique properties of MXenes for advanced rechargeable batteries

Part of Journal of Physics, 2021.

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

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

Part of Physical Review B, 2021.

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

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

Part of Journal of Computational Physics, 2021.

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

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

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

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

High-temperature superconductor of sodalite-like clathrate hafnium hexahydride

Part of Scientific Reports, 2021.

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

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

Part of Journal of Alloys and Compounds, 2021.

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

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

Part of Nano Energy, 2021.

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

Hydrogenation and oxidation enhances the thermoelectric performance of Si₂BN monolayer

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

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

Ideal superelasticity in Ni-based Heusler alloys

Part of Acta Materialia, 2021.

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

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

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

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

In Situ Pseudopotentials for Electronic Structure Theory

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

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

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

Part of Physical Review B, 2021.

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Mondal, Ritwik; Oppeneer, Peter M.

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

Part of Physical Review B, 2021.

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

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

Part of Physical Review B, 2021.

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

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

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

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

Invariant plastic deformation mechanism in paramagnetic nickel-iron alloys

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

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

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

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

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

Kinetic samplers for neural quantum states

Part of Physical Review B, 2021.

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

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

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

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

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

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

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

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

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

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

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

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

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

Local structural evolution in the anionic solid solution ZnSe_xS_1-x

Part of Physical Review B, 2021.

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

Magnetic Damping in Polycrystalline Thin-Film Fe-V Alloys

Part of Physical Review Applied, 2021.

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

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

Part of Physical Review B, 2021.

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

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

Part of Applied Physics Letters, 2021.

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

Magnon-magnon entanglement and its quantification via a microwave cavity

Part of Physical Review B, 2021.

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

Majority gate for two-dimensional ferromagnets lacking inversion symmetry

Part of Physical Review Research, 2021.

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Ji, Shaozheng; Grånäs, Oscar; Weissenrieder, Jonas

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

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

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

Material informatics for uranium-bearing equiatomic disordered solid solution alloys

Part of Materials Today Communications, 2021.

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

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

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

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

Mechanisms behind large Gilbert damping anisotropies

Part of Physical Review B, 2021.

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

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

Part of Advanced Electronic Materials, 2021.

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

Metallic one-dimensional heterostructure for gas molecule sensing

Part of Scientific Reports, 2021.

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

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

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

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

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

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

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

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

Part of Science of the Total Environment, 2021.

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Dupont, M.; Kvashnin, Yaroslav; Shiranzaei, Mahroo; Fransson, Jonas et al.

Monolayer CrCl3 as an Ideal Test Bed for the Universality Classes of 2D Magnetism

Part of Physical Review Letters, 2021.

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Boota, Muhammad; Jung, Euiyeon; Ahuja, Rajeev; Hussain, Tanveer

MXene binder stabilizes pseudocapacitance of conducting polymers

Part of Journal of Materials Chemistry A, p. 20356-20361, 2021.

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Panda, Pritam Kumar; Verma, Suresh K.; Suar, Mrutyunjay

Nanoparticle-biological interactions: the renaissance of bionomics in the myriad nanomedical technologies

Part of Nanomedicine, p. 2249-2254, 2021.

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Gerasimov, Arsenii; Nordström, Lars; Khmelevskyi, Sergii; Mazurenko, Vladimir V. et al.

Nature of the magnetic moment of cobalt in ordered FeCo alloy

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

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

2021.

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Zhang, Hongni; Du, Wenzheng; Zhang, Jianjun; Ahuja, Rajeev et al.

Nitrogen-Containing Gas Sensing Properties of 2-D Ti₂N and Its Derivative Nanosheets: Electronic Structures Insight

Part of Nanomaterials, 2021.

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Sinelnikova, Anna; Van der Spoel, David

NMR Refinement and Peptide Folding Using the GROMACS Software

Part of Journal of Biomolecular NMR, p. 143-149, 2021.

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Kaewmaraya, T.; Ngamwongwan, L.; Moontragoon, P.; Jarernboon, W. et al.

Novel green phosphorene as a superior chemical gas sensing material

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Chakraborty, Debmalya; Black-Schaffer, Annica M.

Odd-frequency pair density wave correlations in underdoped cuprates

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Gonzalez-Garnica, Marisol; Galdamez-Martinez, Andres; Malagon, Francisco; Ramos, C. D. et al.

One dimensional Au-ZnO hybrid nanostructures based CO2 detection: Growth mechanism and role of the seed layer on sensing performance

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Galler, Anna; Thunström, Patrik

Orbital and electronic entanglement in quantum teleportation schemes

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Mirjolet, Mathieu; Vasili, Hari Babu; Valadkhani, Adrian; Santiso, Jose et al.

Orbital occupancy and hybridization in strained SrVO3 epitaxial films

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Björnson, Kristofer; Kreisel, Andreas; Römer, Astrid T.; Andersen, Brian M.

Orbital-dependent self-energy effects and consequences for the superconducting gap structure in multiorbital correlated electron systems

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

Osteoblastic cell response to an additively manufactured zirconium-based bulk metallic glass

Part of 31^st Conference of the European Society for Biomaterials., 2021.

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Shahcheraghi, Seyed Hossein; Aljabali, Alaa A. A.; Al Zoubi, Mazhar S.; Mishra, Vijay et al.

Overview of key molecular and pharmacological targets for diabetes and associated diseases

Part of Life Sciences, 2021.

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Lyon, Keenan; Rusz, Jan

Parameterization of magnetic vector potentials and fields for efficient multislice calculations of elastic electron scattering

Part of ACTA CRYSTALLOGRAPHICA A - FOUNDATION AND ADVANCES, p. 509-518, 2021.

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Knut, Ronny; Malik, Rameez Saeed; Kons, C.; Shoup, J. et al.

Perpendicular and In-Plane Hole Asymmetry in a Strained NiFe₂O₄ film

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Berge, Siri Alva

Phase Diagrams of Finite Spin Chains with Coupled Spin and Lattice Vibrations

2021.

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Verma, Ashok K.; Modak, P.; Schrodi, Fabian; Aperis, Alex et al.

Phonon-mode specific contributions to room-temperature superconductivity in atomic hydrogen at high pressures

Part of Physical Review B, 2021.

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Hoecht, Jonas

Phonon-modulated x-ray absorption in SrTiO3

2021.

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Jonsson, Viktor; Piazza, Luca; Mansson, Martin; Weissenrieder, Jonas et al.

Photoelectron dispersion in metallic and insulating VO2 thin films

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Sinelnikova, Anna

Polymer and Protein Physics: Simulations of Interactions and Dynamics

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Singh, Deobrat; Ahuja, Rajeev

Polypeptoid Material as an Anchoring Material for Li-S Batteries

Part of ACS Applied Energy Materials, p. 13070-13076, 2021.

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Somaiya, Radha N.; Singh, Deobrat; Sonvane, Yogesh; Gupta, Sanjeev K. et al.

Potential SiX (X = N, P, As, Sb, Bi) homo-bilayers for visible-light photocatalyst applications

Part of Catalysis Science & Technology, p. 4996-5013, 2021.

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Li, Changle; Lu, Song; Vitos, Levente

Predicting grain boundary energies of complex alloys from ab initio calculations

Part of Scripta Materialia, 2021.

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Verma, Ashok K.; Modak, Paritosh; Schrodi, Fabian; Aperis, Alex et al.

Prediction of an unusual trigonal phase of superconducting LaH10 stable at high pressures

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Wang, Duo; Shaikh, Monirul; Ghosh, Saurabh; Sanyal, Biplab

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

Part of Physical Review Materials, 2021.

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Reddy, Indukuru Ramesh; Oppeneer, Peter M.; Tarafder, Kartick

Pressure-driven structural and spin-state transition in a Hofmann clathrate coordination polymer

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Gallego-Parra, Samuel; Gomis, Oscar; Vilaplana, Rosario; Paula Cuenca-Gotor, Vanesa et al.

Pressure-induced order-disorder transitions in beta-In2S3: an experimental and theoretical study of structural and vibrational properties

Part of Physical Chemistry, Chemical Physics - PCCP, p. 23625-23642, 2021.

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Tian, Ruifeng; Zhao, Shijing; Li, Junkai; Chen, Zhibin et al.

Pressure-promoted highly-ordered Fe-doped-Ni2B for effective oxygen evolution reaction and overall water splitting

Part of Journal of Materials Chemistry A, p. 6469-6475, 2021.

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Sinelnikova, Anna; Mandl, Thomas; Agelii, Harald; Grånäs, Oscar et al.

Protein orientation in time-dependent electric fields: orientation before destruction

Part of Biophysical Journal, p. 3709-3717, 2021.

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Xiao, Shuyang; Borisov, Vladislav; Gorgen-Lesseux, Guilherme; Rommel, Sarshad et al.

Pseudoelasticity of SrNi2P2 Micropillar via Double Lattice Collapse and Expansion

Part of Nano Letters, p. 7913-7920, 2021.

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Shaw, Justin M.; Knut, Ronny; Armstrong, Abigail; Bhandary, Sumanta et al.

Quantifying Spin-Mixed States in Ferromagnets

Part of Physical Review Letters, 2021.

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Salemi, Leandro; Berritta, Marco; Oppeneer, Peter M.

Quantitative comparison of electrically induced spin and orbital polarizations in heavy-metal/3d-metal bilayers

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Aydin, Alhun; Fransson, Jonas; Sisman, Altug

Quantum shape oscillations in the thermodynamic properties of confined electrons in core–shell nanostructures

Part of Journal of Physics, 2021.

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Jovanovic, Aleksandar Z.; Mentus, Slavko V.; Skorodumova, Natalia V.; Pasti, Igor A.

Reactivity Screening of Single Atoms on Modified Graphene Surface: From Formation and Scaling Relations to Catalytic Activity

Part of Advanced Materials Interfaces, 2021.

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Rahmani, Neda; Ghazi, M. E.; Izadifard, Morteza; Sanyal, Biplab

Realizing ferromagnetic insulators in electron doped double perovskites Sr(2-x)AxMnVO(6); A = Sn, Bi

Part of Journal of Magnetism and Magnetic Materials, 2021.

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Xu, Guofu; Zhao, Peizi; Sjöqvist, Erik; Tong, Dianmin

Realizing nonadiabatic holonomic quantum computation beyond the three-level setting

Part of Physical Review A. Atomic, Molecular, and Optical Physics, 2021.

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Kumar, Dhirendra; Kaur, Jagjit; Mohanty, Prajna Parimita; Ahuja, Rajeev et al.

Recent Advancements in Nontoxic Halide Perovskites: Beyond Divalent Composition Space

Part of ACS Omega, p. 33240-33252, 2021.

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Tang, Jiayuan; Teng, Yuancheng; Chen, Yuan; Zhao, Xiaofeng et al.

Reduction of the sintering temperature and dielectric loss of the CCTO ceramic by doping tellurite glass

Part of Ceramics International, p. 10006-10012, 2021.

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Arabchigavkani, N.; Somphonsane, R.; Ramamoorthy, H.; He, G. et al.

Remote Mesoscopic Signatures of Induced Magnetic Texture in Graphene

Part of Physical Review Letters, 2021.

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Sinelnikova, Anna; Mandl, Thomas; Östlin, Christofer; Grånäs, Oscar et al.

Reproducibility in the unfolding process of protein induced by an external electric field

Part of Chemical Science, p. 2030-2038, 2021.

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Löthman, Tomas

Robust Platforms for Superconductivity: Disorder Robustness and Topological Density of States Peaks

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

Role of atomicity in the oxygen reduction reaction activity of platinum sub nanometer clusters: A global optimization study

Part of Journal of Computational Chemistry, p. 1944-1958, 2021.

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Esteban-Puyuelo, Raquel; Sanyal, Biplab

Role of defects in ultrafast charge recombination in monolayer MoS₂

Part of Physical Review B, 2021.

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

Salt-assisted growth of monolayer MoS₂ for high-performance hysteresis-free field-effect transistor

Part of Journal of Applied Physics, 2021.

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Panigrahi, Puspamitra; Desai, Manish; Talari, Murali Krishna; Bae, Hyeonhu et al.

Selective decoration of nitrogenated holey graphene (C₂N) with titanium clusters for enhanced hydrogen storage application

Part of International journal of hydrogen energy, p. 7371-7380, 2021.

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Baljozovic, Milos; Liu, Xunshan; Popova, Olha; Girovsky, Jan et al.

Self-Assembly and Magnetic Order of Bi-Molecular 2D Spin Lattices of M(II,III) Phthalocyanines on Au(111)

Part of MAGNETOCHEMISTRY, 2021.

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Schrodi, Fabian

Selfconsistent theory of superconductivity in unconventional superconductors

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

Semiconducting phase of hafnium dioxide under high pressure: a theoretical study by quasi-particle GW calculations

Part of Materials Research Express, 2021.

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Liu, Bo; Xiao, Huijuan; Siemann, Gesa; Weber, Jonathan et al.

Signature of magnon polarons in electron relaxation on terbium revealed by comparison with gadolinium

Part of Physical Review B, 2021.

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Paul, Ganesh C.; Islam, S. K. Firoz; Dutta, Paramita; Saha, Arijit

Signatures of interfacial topological chiral modes via RKKY exchange interaction in Dirac and Weyl systems

Part of Physical Review B, 2021.

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Zeiger, Paul; Rusz, Jan

Simulations of spatially and angle-resolved vibrational electron energy loss spectroscopy for a system with a planar defect

Part of Physical Review B, 2021.

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Ali, Hasan; Rusz, Jan; Warnatz, Tobias; Hjörvarsson, Björgvin et al.

Simultaneous mapping of EMCD signals and crystal orientations in a transmission electron microscope

Part of Scientific Reports, 2021.

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Mondal, Ritwik; Kamra, Akashdeep

Spin pumping at terahertz nutation resonances

Part of Physical Review B, 2021.

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Tsuppayakorn-aek, Prutthipong; Sukmas, Wiwittawin; Ahuja, Rajeev; Luo, Wei et al.

Stabilization and electronic topological transition of hydrogen-rich metal Li₅MoH₁₁ under high pressures from first-principles predictions

Part of Scientific Reports, 2021.

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Haman, Z.; Kibbou, M.; Bouziani, I; Benhouria, Y. et al.

Structural, electronic and optical properties of two-dimensional Janus transition metal oxides MXO (M = Ti, Hf and Zr; X = S and Se) for photovoltaic and opto-electronic applications

Part of Physica. B, Condensed matter, 2021.

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Chen, Xingqi; Esteban-Puyuelo, Raquel; Li, Linyang; Sanyal, Biplab

Structural phase transition in monolayer gold(I) telluride: From a room-temperature topological insulator to an auxetic semiconductor

Part of Physical Review B, 2021.

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Tsuppayakorn-aek, Prutthipong; Ektarawong, Annop; Jimlim, Pornmongkol; Kanchanavatee, Noravee et al.

Structural predictions of superconducting phase in tungsten ditellurides WTe2 from first-principles evolutionary techniques under high pressure

Part of Computational materials science, 2021.

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Pereira de Carvalho, Rodrigo; Marchiori, Cleber F.N.; Mihali, Viorica-Alina; Renault, Steven et al.

Structure-property relationships in organic battery anode materials: exploring redox reactions in crystalline Na- and Li-benzene diacrylate using combined crystallography and density functional theory calculations

Part of Materials Advances, p. 1024-1034, 2021.

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Awoga, Oladunjoye

Studies of Topological Superconductors via Defects

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Lange, Gunnar F.; Bouhon, Adrien; Slager, Robert-Jan

Subdimensional topologies, indicators, and higher order boundary effects

Part of Physical Review B, 2021.

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Dutta, Paramita; Parhizgar, Fariborz; Black-Schaffer, Annica M.

Superconductivity in spin-3/2 systems: Symmetry classification, odd-frequency pairs, and Bogoliubov Fermi surfaces

Part of Physical Review Research, 2021.

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

Synergistic vacancy defects and mechanical strain for the modulation of the mechanical, electronic and optical properties of monolayer tungsten disulfide

Part of Physical Chemistry, Chemical Physics - PCCP, p. 6298-6308, 2021.

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Wang, Duo; Sanyal, Biplab

Systematic Study of Monolayer to Trilayer CrI3: Stacking Sequence Dependence of Electronic Structure and Magnetism

Part of The Journal of Physical Chemistry C, p. 18467-18473, 2021.

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Shrivastava, Garima; Aljabali, Alaa A. A.; Shahcheraghi, Seyed Hossein; Lotfi, Marzieh et al.

Targeting LIN28: a new hope in prostate cancer theranostics

Part of Future Oncology, p. 3873-3880, 2021.

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Sang, Yutao; Mishra, Suryakant; Tassinari, Francesco; Karuppannan, Senthil Kumar et al.

Temperature Dependence of Charge and Spin Transfer in Azurin

Part of The Journal of Physical Chemistry C, p. 9875-9883, 2021.

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Tian, Li-Yun; Vitos, Levente; Lizarraga, Raquel

Temperature effects on the elastic and thermodynamic properties of Al1-xLix and Al1-xCrx alloys from first principles

Part of Physical Review Materials, 2021.

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Lloyd-Hughes, J.; Oppeneer, Peter M.; Pereira dos Santos, T.; Schleife, A. et al.

The 2021 ultrafast spectroscopic probes of condensed matter roadmap

Part of Journal of Physics, 2021.

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Song, Jiao-Jiao; Luo, Yang; Zhang, Chen; Wu, Qi-Yi et al.

The 4f-Hybridization Strength in CemMnIn3m+2n Heavy-Fermion Compounds Studied by Angle-Resolved Photoemission Spectroscopy

Part of Chinese Physics Letters, 2021.

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Lizarraga, Raquel; Li, Xiaojie; Wei, Daixiu; Vitos, Levente et al.

The effect of Si and Ge on the elastic properties and plastic deformation modes in high- and medium-entropy alloys

Part of Applied Physics Letters, 2021.

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Li, Xiaojie; Schönecker, Stephan; Li, Xiaoqing; Zhao, Jijun et al.

The influence of temperature on the elastic properties of body-centered cubic reduced activation steels

Part of Materials & design, 2021.

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Chesnokov, Andrei; Gryaznov, Denis; Skorodumova, Natalia V.; Kotomin, Eugene A. et al.

The local atomic structure and thermoelectric properties of Ir-doped ZnO: hybrid DFT calculations and XAS experiments dagger

Part of Journal of Materials Chemistry C, p. 4948-4960, 2021.

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Redwan, Elrashdy M.; Alghamdi, Mohammed F.; Abd El-Aziz, Tarek Mohamed; Adadi, Parise et al.

The mechanism behind flaring/triggering of autoimmunity disorders associated with COVID-19

Part of Autoimmunity Reviews, 2021.

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Aljabali, Alaa A. A.; Hassan, Sk Sarif; Pabari, Ritesh M.; Shahcheraghi, Seyed H. et al.

The viral capsid as novel nanomaterials for drug delivery

Part of Future Science OA, 2021.

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Singh, Deobrat; Ahuja, Rajeev

Theoretical Prediction of a Bi-Doped beta-Antimonene Monolayer as a Highly Efficient Photocatalyst for Oxygen Reduction and Overall Water Splitting

Part of ACS Applied Materials and Interfaces, p. 56254-56264, 2021.

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Yang, Zhibiao; Dai, Chengren; Sun, Jian; Lu, Song et al.

Theoretically exploring covalent bonding effect on deformability of B2/β Ti (Al_xNb_1-x) phase

Part of Computational materials science, 2021.

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Lyon, Keenan; Bergman, Anders; Zeiger, Paul; Kepaptsoglou, Demie et al.

Theory of magnon diffuse scattering in scanning transmission electron microscopy

Part of Physical Review B, 2021.

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Khossossi, Nabil; Banerjee, Amitava; Essaoudi, Ismail; Ainane, Abdelmajid et al.

Thermodynamics and kinetics of 2D g-GeC monolayer as an anode materials for Li/Na-ion batteries

Part of Journal of Power Sources, 2021.

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Dong, Zhihua; Li, Wei; Jiang, Bin; Li, Qian et al.

Thermo-mechanical properties of Cr-Co-Ni alloys from longitudinal spin fluctuation theory

Part of Applied Physics Letters, 2021.

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Mondal, Ritwik

Theroy of magnetic inertial dynamics in two-sublattice ferromagnets

Part of Journal of Physics, 2021.

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Wang, Kuan; Hu, Qing; Gao, Bin; Lin, Qi et al.

Threshold switching memristor-based stochastic neurons for probabilistic computing

Part of Materials Horizons, p. 619-629, 2021.

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Bouhon, Adrien; Lange, Gunnar F.; Slager, Robert-Jan

Topological correspondence between magnetic space group representations and subdimensions

Part of Physical Review B, 2021.

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Thunström, Patrik; Held, K.

Topology of SmB₆ determined by dynamical mean field theory

Part of Physical Review B, 2021.

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Sharma, Pratigya; Sundaram, Manickam Minakshi; Watcharatharapong, Teeraphat; Jungthawan, Sirichok et al.

Tuning the Nanoparticle Interfacial Properties and Stability of the Core-Shell Structure in Zn-Doped NiMoO4@AWO(4)

Part of ACS Applied Materials and Interfaces, p. 56116-56130, 2021.

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Wang, Ci; Schonecker, Stephan; Li, Wei; Yang, Yaochun et al.

Twinning pathways in Fe and Fe-Cr alloys from first-principles theory

Part of Acta Materialia, 2021.

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Panigrahi, Puspamitra; Jini, D.; Bae, Hyeonhu; Lee, Hoonkyung et al.

Two-dimensional Janus monolayers of MoSSe as promising sensor towards selected adulterants compounds

Part of Applied Surface Science, 2021.

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

Two-dimensional Janus Sn2SSe and SnGeS2 semiconductors as strong absorber candidates for photovoltaic solar cells: First principles computations

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

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Chen, Xin; Li, Linyang; Peeters, Francois M.; Sanyal, Biplab

Two-dimensional oxygen functionalized honeycomb and zigzag dumbbell silicene with robust Dirac cones

Part of New Journal of Physics, 2021.

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Dannegger, Tobias; Berritta, Marco; Carva, Karel; Selzer, Severin et al.

Ultrafast coherent all-optical switching of an antiferromagnet with the inverse Faraday effect

Part of Physical Review B, 2021.

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Malik, Rameez Saeed; Delczeg-Czirjak, Erna Krisztina; Knut, Ronny; Thonig, D. et al.

Ultrafast magnetization dynamics in the half-metallic Heusler alloy Co2FeAl

Part of Physical Review B, 2021.

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Raval, Dhara; Babariya, Bindiya; Gupta, Sanjeev K.; Gajjar, P. N. et al.

Ultrahigh carrier mobility and light-harvesting performance of 2D penta-PdX2 monolayer

Part of Journal of Materials Science, p. 3846-3860, 2021.

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

Unconventional superconductivity mediated solely by isotropic electron-phonon interaction

Part of Physical Review B, 2021.

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Damas, Giane; Costa, Luciano T.; Ahuja, Rajeev; Araujo, Carlos Moyses

Understanding carbon dioxide capture on metal-organic frameworks from first-principles theory: The case of MIL-53(X), with X = Fe3+, Al3+, and Cu2+

Part of Journal of Chemical Physics, 2021.

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Mommers, Cornelis Johannes Gerardus

Universal Quantum Computation Using Discrete Holonomies

2021.

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Wang, Duo; Chen, Xin; Sanyal, Biplab

Unraveling complex magnetism in two-dimensional FeS₂

Part of Physical Review B, 2021.

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Huang, Shuo; Dong, Zhihua; Dastanpour, Esmat; Strom, Valter et al.

Vibrational entropy-enhanced magnetocaloric effect in Mn-rich high-entropy alloys

Part of Applied Physics Letters, 2021.

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Wang, Xin-Xin; Ji, Hefei; Li, Zi; Zhu, Lijun et al.

What is the Role of Nb on Preferential Hydriding of Double-Phased Uranium, Stabilizing gamma-U, or Avoiding Hydrogen Aggregation?

Part of The Journal of Physical Chemistry C, p. 9364-9370, 2021.

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Sahoo, Bikash R.; Panda, Pritam Kumar; Liang, Wenguang; Tang, Wei-Jen et al.

y Degradation of Alzheimer's Amyloid-beta by a Catalytically Inactive Insulin-Degrading Enzyme

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Zhao, XiaoFeng; Panda, Pritam Kumar; Singh, Deobrat; Yang, Xiaoyong et al.

2D g-C3N4 monolayer for amino acids sequencing

Part of Applied Surface Science, 2020.

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

2D Monolayer Boron Sulfide as an Efficient Material for Optical Nanodevices

Part of 3rd international conference on condensed matter & applied physics (ICC-2019), 2020.

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Xiong, Sangqi; Li, Xin; Wu, Xiangwei; Yu, Jin et al.

A combined machine learning and density functional theory study of binary Ti-Nb and Ti-Zr alloys: Stability and Young's modulus

Part of Computational materials science, 2020.

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Allal, Adel; Halit, Mohamed; Saib, Salima; Azzouz, Lahcene et al.

A comparative theoretical investigation of optoelectronic and mechanical properties of KYS₂ and KLaS₂

Part of Materials Science in Semiconductor Processing, 2020.

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Michaud, Jérôme

A Game Theoretic Perspective on the Utterance Selection Model for Language Change

Part of The Evolution of Language, 2020.

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Caleman, Carl; Junior, Francisco Jares; Grånäs, Oscar; Martin, Andrew, V

A Perspective on Molecular Structure and Bond-Breaking in Radiation Damage in Serial Femtosecond Crystallography

Part of Crystals, 2020.

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Bouziani, I.; Haman, Z.; Kibbou, M.; Benhouria, Y. et al.

Ab initio study of electronic and optical properties of penta-SiC2 and-SiGeC4 monolayers for solar energy conversion

Part of Superlattices and Microstructures, 2020.

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Yang, Yaochun; Zhang, Hualei; Sun, Qiaoyan; Hu, Qing-Miao et al.

Ab initio study of the elastic properties of body-centered cubic Ti-Mo-based alloys

Part of Computational materials science, 2020.

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Östlin, A.; Zhang, Y.; Terletska, H.; Beiuseanu, F. et al.

Ab initio typical medium theory of substitutional disorder

Part of Physical Review B, 2020.

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Kumberg, I; Golias, E.; Pontius, N.; Hosseinifar, R. et al.

Accelerating the laser-induced demagnetization of a ferromagnetic film by antiferromagnetic order in an adjacent layer

Part of Physical Review B, 2020.

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Dobrota, Ana S.; Pasti, Igor A.; Mentus, Slavko, V; Johansson, Börje et al.

Altering the reactivity of pristine, N- and P-doped graphene by strain engineering: A DFT view on energy related aspects

Part of Applied Surface Science, 2020.

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Vrube, Ivan I.; Pervishko, Anastasiia A.; Herper, Heike C.; Brena, Barbara et al.

An ab initio perspective on scanning tunneling microscopy measurements of the tunable Kondo resonance of the TbPc2 molecule on a gold substrate

Part of Physical Review B, 2020.

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Jana, Somnath; Malik, Rameez S.; Kvashnin, Yaroslav O.; Locht, Inka L. M. et al.

Analysis of the linear relationship between asymmetry and magnetic moment at the M edge of 3d transition metals

Part of Physical Review Research, 2020.

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Iliasov, Askar; Bagrov, Andrey A.; Katsnelson, Mikhail I.; Krikun, Alexander

Anisotropic destruction of the Fermi surface in inhomogeneous holographic lattices

Part of Journal of High Energy Physics (JHEP), 2020.

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Bajaj, Ashima; Kaur, Prabhleen; Sud, Aakanksha; Berritta, Marco et al.

Anomalous Effect of Quantum Interference in Organic Spin Filters

Part of The Journal of Physical Chemistry C, p. 24361-24371, 2020.

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Ali, Hasan; Negi, Devendra Singh; Warnatz, Tobias; Hjörvarsson, Björgvin et al.

Atomic resolution energy-loss magnetic chiral dichroism measurements enabled by patterned apertures

Part of Physical Review Research, 2020.

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Damas, Giane B.

Atomic Scale Modelling in Photoelectrocatalysis: Towards the Development of Efficient Materials for Solar Fuel Production

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Naqvi, S. Rabab

Atomistic Modelling of Low Dimensional Materials for Energy Harvesting and Gas Sensing Applications

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

Biocompatible biogenic silver nanoparticles interact with caspases on an atomic level to elicit apoptosis

Part of Nanomedicine, p. 2119-2132, 2020.

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Tang, Hu; Gao, Xiang; Zhang, Jian; Gao, Bo et al.

Boron-Rich Molybdenum Boride with Unusual Short-Range Vacancy Ordering, Anisotropic Hardness, and Superconductivity

Part of Chemistry of Materials, p. 459-467, 2020.

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

Bulk and monolayer As2S3 as promising thermoelectric material with high conversion performance

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Tamura, Shun; Nakosai, Sho; Black-Schaffer, Annica M.; Tanaka, Yukio et al.

Bulk odd-frequency pairing in the superconducting Su-Schrieffer-Heeger model

Part of Physical Review B, 2020.

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Panigrahi, Puspamitra; Kumar, Ashok; Bae, Hyeonhu; Lee, Hoonkyung et al.

Capacity enhancement of polylithiated functionalized boron nitride nanotubes: an efficient hydrogen storage medium

Part of Physical Chemistry, Chemical Physics - PCCP, p. 15675-15682, 2020.

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Benhouria, Y.; Kibbou, M.; Khossossi, Nabil; Foshi, J. et al.

Carbides-anti-perovskites Mn₃(Sn, Zn)C: Potential candidates for an application in magnetic refrigeration

Part of Physica. E, Low-Dimensional systems and nanostructures, 2020.

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Singh, Deobrat; Shukla, Vivekanand; Panda, Pritam Kumar; Mishra, Yogendra Kumar et al.

Carbon-phosphide monolayer with high carrier mobility and perceptible I-V response for superior gas sensing

Part of New Journal of Chemistry, p. 3777-3785, 2020.

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Aperis, Alex; Varelogiannis, Georgios

Charge density waves beyond the Pauli paramagnetic limit in 2D systems

Part of Journal of Applied Physics, 2020.

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Huang, Shuo; Li, Wei; Eriksson, Olle; Vitos, Levente

Chemical ordering controlled thermo-elasticity of AlTiVCr1-xNbx high-entropy alloys

Part of Acta Materialia, p. 53-62, 2020.

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Brena, Barbara; Sanyal, Biplab; Herper, Heike C.

Chemical Switching of the Magnetic Coupling in a MnPc Dimer by Means of Chemisorption and Axial Ligands

Part of The Journal of Physical Chemistry C, p. 27185-27193, 2020.

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Kvashnin, Yaroslav; VanGennep, D.; Mito, M.; Medvedev, S. A. et al.

Coexistence of Superconductivity and Charge Density Waves in Tantalum Disulfide: Experiment and Theory

Part of Physical Review Letters, 2020.

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Zhang, Yingchao; Shi, Xun; You, Wenjing; Tao, Zhensheng et al.

Coherent modulation of the electron temperature and electron-phonon couplings in a 2D material

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

Coleman-Weinberg potential in p-adic field theory

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Grigoriev, Anton; Jafri, Syed Hassan Mujtaba; Leifer, Klaus

Comment on "Quantum interference effects in biphenyl dithiol for gas detection" by J. Prasongkit and A. R. Rocha, RSC Adv., 2016, 64, 59299-59304

Part of RSC Advances, p. 2073-2074, 2020.

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Esteban-Puyuelo, Raquel; Sarma, D. D.; Sanyal, Biplab

Complexity of mixed allotropes of MoS2 unraveled by first-principles theory

Part of Physical Review B, 2020.

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Kovacs, Alexander; Fischbacher, Johann; Gusenbauer, Markus; Oezelt, Harald et al.

Computational Design of Rare-Earth Reduced Permanent Magnets

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Arapan, S.; Nieves, P.; Herper, Heike C.; Legut, D.

Computational screening of Fe-Ta hard magnetic phases

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Cardoch, Sebastian

Computational study of single protein sensing using nanopores

2020.

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Larson, Jonas; Sjöqvist, Erik; Öhberg, Patrik

Conical Intersections in Physics: An Introduction to Synthetic Gauge Theories

Springer, 2020.

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Kumar, Raj; Mondal, Kunal; Panda, Pritam Kumar; Kaushik, Ajeet et al.

Core-shell nanostructures: perspectives towards drug delivery applications

Part of Journal of materials chemistry. B, p. 8992-9027, 2020.

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Li, Changle; Levämäki, Henrik; Xie, Ruiwen; Tian, Liyun et al.

Critical assessment of Co-Cu phase diagram from first-principles calculations

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Ji, Cheng; Li, Bing; Liu, Wenjun; Smith, Jesse S. et al.

Crystallography of low Z material at ultrahigh pressure: Case study on solid hydrogen

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

Density functional investigations on the adsorption characteristics of nucleobases on germanene nanoribbons

Part of Physica. E, Low-Dimensional systems and nanostructures, 2020.

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Iubini, Stefano; Borlenghi, Simone; Delin, Anna; Lepri, Stefano et al.

Dephasing-Assisted Macrospin Transport

Part of Entropy, 2020.

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Bagrov, Andrey A.; Danilov, Mikhail; Brener, Sergey; Harland, Malte et al.

Detecting quantum critical points in the t-t ' Fermi-Hubbard model via complex network theory

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Paeckel, Sebastian; Fauseweh, Benedikt; Osterkorn, Alexander; Köhler, Thomas et al.

Detecting superconductivity out of equilibrium

Part of Physical Review B, 2020.

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Bollmark, Gunnar; Laflorencie, Nicolas; Kantian, Adrian

Dimensional crossover and phase transitions in coupled chains: Density matrix renormalization group results

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Tengdin, Phoebe; Gentry, Christian; Blonsky, Adam; Zusin, Dmitriy et al.

Direct light-induced spin transfer between different elements in a spintronic Heusler material via femtosecond laser excitation

Part of Science Advances, 2020.

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Li, Hu; Duan, Tianbo; Haldar, Soumyajyoti; Sanyal, Biplab et al.

Direct Writing of Lateral Fluorographene Nanopatterns with Tunable Bandgaps and Its Application in New Generation of Moiré Superlattice

Part of Applied Physics Reviews, 2020.

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

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

2020.

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Xie, Ruiwen; Lu, Song; Li, Wei; Tian, Yanzhong et al.

Dissociated dislocation-mediated carbon transport and diffusion in austenitic iron

Part of Acta Materialia, p. 43-50, 2020.

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Balaz, Pavel; Carva, Karel; Ritzmann, Ulrike; Maldonado, Pablo et al.

Domain wall dynamics due to femtosecond laser-induced superdiffusive spin transport

Part of Physical Review B, 2020.

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Li, Xiaoqing; Li, Wei; Irving, Douglas L.; Varga, Lajos K. et al.

Ductile and brittle crack-tip response in equimolar refractory high-entropy alloys

Part of Acta Materialia, p. 174-187, 2020.

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Balatsky, Alexander V.; Haraldsen, Jason T.; Black-Schaffer, Annica M.; Pertsova, Anna et al.

Dynamic Quantum Matter

Part of Annalen der Physik, 2020.

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Zanfrognini, Matteo; Rotunno, Enzo; Rusz, Jan; Borkowski, Rafal E. Dunin et al.

Dynamical diffraction effects in STEM orbital angular momentum resolved electron energy-loss magnetic chiral dichroism

Part of Physical Review B, 2020.

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Wang, Huan; Emanuelsson, Rikard; Banerjee, Amitava; Ahuja, Rajeev et al.

Effect of Cycling Ion and Solvent on the Redox Chemistry of Substituted Quinones and Solvent-Induced Breakdown of the Correlation between Redox Potential and Electron-Withdrawing Power of Substituents

Part of The Journal of Physical Chemistry C, p. 13609-13617, 2020.

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

Effect of polaron formation on electronic, charge and magnetic properties of Nb₁₂O₂₉

Part of Journal of Alloys and Compounds, 2020.

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Zeiger, Paul; Rusz, Jan

Efficient and Versatile Model for Vibrational STEM-EELS

Part of Physical Review Letters, 2020.

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

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

2020.

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Jakobsen, Martin F.; Naess, Kristian B.; Dutta, Paramita; Brataas, Arne et al.

Electrical and thermal transport in antiferromagnet-superconductor junctions

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Zidane, Mustapha; Salmani, El Mehdi; Majumdar, Arnab; Ez-Zahraouy, Hamid et al.

Electrical and thermal transport properties of Fe-Ni based ternary alloys in the earth's inner core: An ab initio study

Part of Physics of the Earth and Planetary Interiors, 2020.

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de Souza, Fabio A. L.; Sivaraman, Ganesh; Fyta, Maria; Scheicher, Ralph H. et al.

Electrically sensing Hachimoji DNA nucleotides through a hybrid graphene/h-BN nanopore

Part of Nanoscale, p. 18289-18295, 2020.

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Mahida, H. R.; Singh, Deobrat; Panda, Pritam Kumar; Sonvane, Yogesh et al.

Electronic and optical properties of a structural defect in 2D MgF₂ monolayer

Part of 3rd international conference on condensed matter & applied physics (ICC-2019), 2020.

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Bouziani, I; Kibbou, M.; Haman, Z.; Benhouria, Y. et al.

Electronic and optical properties of ZnO nanosheet doped and codoped with Be and/or Mg for ultraviolet optoelectronic technologies: density functional calculations

Part of Physica Scripta, 2020.

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Meng, Dongxue; Li, Mingkai; Long, Debing; Cheng, Yang et al.

Electronic structure and dynamic properties of two-dimensional W x Mo 1?: x S 2 ternary alloys from first -principles calculations

Part of Computational materials science, 2020.

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

Eliashberg theory for spin fluctuation mediated superconductivity: Application to bulk and monolayer FeSe

Part of Physical Review B, 2020.

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Anikina, Ekaterina; Hussain, Tanveer; Beskachko, Valery; Ahuja, Rajeev

Elucidating hydrogen storage properties of two-dimensional siligraphene (SiC8) monolayers upon selected metal decoration

Part of Sustainable Energy & Fuels, p. 5578-5587, 2020.

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Majumdar, Arnab; Adeleke, Adebayo A.; Chakraborty, Sudip; Ahuja, Rajeev

Emerging piezochromism in lead free alkaline earth chalcogenide perovskite AZrS₃ (A = Mg, Ca, Sr and Ba) under pressure

Part of Journal of Materials Chemistry C, p. 16392-16403, 2020.

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Majumdar, Arnab; Chakraborty, Sudip; Ahuja, Rajeev

Emerging piezochromism in transparent lead free perovskite Rb3X2I9 (X=Sb, Bi) under compression: A comparative theoretical insight

Part of Journal of Applied Physics, 2020.

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Teixeira, Raphael L. R. C.; Kuzmanovski, Dushko; Black-Schaffer, Annica M.; Dias da Silva, Luis G. G., V

Enhanced Majorana bound states in magnetic chains on superconducting topological insulator edges

Part of Physical Review B, 2020.

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

Enhancement of hydrogen storage capacity on co-functionalized GaS monolayer under external electric field

Part of International journal of hydrogen energy, p. 12384-12393, 2020.

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Watts, Michael J.; Fiducia, Thomas A. M.; Sanyal, Biplab; Smith, Roger et al.

Enhancement of photovoltaic efficiency in CdSexTe1-x (where 0 <= x <= 1): insights from density functional theory

Part of Journal of Physics, 2020.

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Roondhe, Basant; Sharma, Vaishali; Kagdada, Hardik L.; Singh, Dheeraj K. et al.

Enhancing the electronic and phonon transport properties of two-dimensional hexagonal boron nitride through oxygenation: A first principles study

Part of Applied Surface Science, 2020.

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Streib, Simon; Borisov, Vladislav; Pereiro, Manuel; Bergman, Anders et al.

Equation of motion and the constraining field in ab initio spin dynamics

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Svensson, Pamela H.W.

Everything you wanted to know about the TPA molecule adsorbed on Au(111)

2020.

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Benhouria, Y.; Lamarti, B.; Oubelkacem, A.; Essaoudi, I. et al.

Examination of the Magnetic Properties of the Triangular Type Mixed spin-(1/2,1) Nanowire

Part of Journal of Superconductivity and Novel Magnetism, p. 817-824, 2020.

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

Excitonic effects in the optoelectronic properties of graphene-like BC monolayer

Part of Optical materials (Amsterdam), 2020.

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Zhao, XiaoFeng; Yang, Xiaoyong; Li, YuXiang; Ahuja, Rajeev

Exploring the Degradation Behavior of Ce-Monazite in Water Solution through Adsorption and Penetration Kinetics

Part of The Journal of Physical Chemistry C, p. 22173-22184, 2020.

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Khossossi, Nabil; Shukla, Vivekanand; Benhouria, Younes; Essaoudi, Ismail et al.

Exploring the Possibility of beta-Phase Arsenic-Phosphorus Polymorph Monolayer as Anode Materials for Sodium-Ion Batteries

Part of Advanced Theory and Simulations, 2020.

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Naqvi, Syeda Rabab; Shukla, Vivekanand; Jena, Naresh Kumar; Luo, Wei et al.

Exploring two-dimensional M2NS2 (M = Ti, V) MXenes based gas sensors for air pollutants

Part of Applied Materials Today, 2020.

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Grånäs, Oscar; Mocellin, A.; Cardoso, E. S.; Burmeister, Florian et al.

Femtosecond fragmentation of CS2 after sulfur 1s ionization: interplay between Auger cascade decay, charge delocalization, and nuclear motion

Part of Journal of Physics B, 2020.

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Azuri, Ido; Ali, Md. Ehesan; Tarafder, Kartick; Oppeneer, Peter M. et al.

Fe-porphyrin on Co(001) and Cu(001): A Comparative Dispersion-augmented Density Functional Theory Study

Part of Israel Journal of Chemistry, p. 870-875, 2020.

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Dutta, Paramita; Parhizgar, Fariborz; Black-Schaffer, Annica M.

Finite bulk Josephson currents and chirality blockade removal from interorbital pairing in magnetic Weyl semimetals

Part of Physical Review B, 2020.

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Ren, Yingying; Ren, Xiaohan; Ahuja, Rajeev; Qian, Zhao

First-principles calculations into LiAl(NH2)(4) and its derivative hydrides for potential sodium storage

Part of RESULTS IN PHYSICS, 2020.

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Cardias, Ramon; Szilva, Attila; Bezerra-Neto, M. M.; Ribeiro, M. S. et al.

First-principles Dzyaloshinskii-Moriya interaction in a non-collinear framework

Part of Scientific Reports, 2020.

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Liang, Qi; Nie, Xi; Du, Wenzheng; Zhang, Pengju et al.

First-Principles Exploration of Hazardous Gas Molecule Adsorption on Pure and Modified Al₆₀N₆₀ Nanoclusters

Part of Nanomaterials, 2020.

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Yang, Yaochun; Schonecker, Stephan; Li, Wei; Wang, Ci et al.

First-principles study of the Σ3(112) grain boundary in Fe-rich Fe-Cr alloys

Part of Scripta Materialia, p. 140-143, 2020.

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Yang, Xiaoyong; Luo, Wei; Ahuja, Rajeev

Fluoride ion batteries: Designing flexible M2CH2 (M=Ti or V) MXenes as high-capacity cathode materials

Part of Nano Energy, 2020.

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Köhler, Thomas; Paeckel, S.; Meyer, C.; Manmana, S. R.

Formation of spatial patterns by spin-selective excitations of interacting fermions

Part of Physical Review B, 2020.

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Bruce, Henrik

Formulation of Model Problem for Chirality Induced Spin Selectivity Effect

2020.

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

Full-bandwidth Eliashberg theory of superconductivity beyond Migdal's approximation

Part of Physical Review B, 2020.

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Silva, Jose Luis; Brena, Barbara; Araujo, Carlos Moyses

g-C₃N₄/WTe₂ Hybrid Electrocatalyst for Efficient Hydrogen Evolution Reaction

Part of The Journal of Physical Chemistry C, p. 8726-8735, 2020.

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Westerhout, Tom; Astrakhantsev, Nikita; Tikhonov, Konstantin S.; Katsnelson, Mikhail, I et al.

Generalization properties of neural network approximations to frustrated magnet ground states

Part of Nature Communications, 2020.

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Sun, Xun; Zhang, Hualei; Li, Wei; Ding, Xiangdong et al.

Generalized Stacking Fault Energy of Al-Doped CrMnFeCoNi High-Entropy Alloy

Part of Nanomaterials, 2020.

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Kauch, A.; Pudleiner, P.; Astleithner, K.; Thunström, Patrik et al.

Generic Optical Excitations of Correlated Systems: pi-tons

Part of Physical Review Letters, 2020.

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Bouhon, Adrien; Bzdusek, Tomas; Slager, Robert-Jan

Geometric approach to fragile topology beyond symmetry indicators

Part of Physical Review B, 2020.

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Sjöqvist, Erik

Geometric phase of very slow neutrons

2020.

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Sjöqvist, Erik

Geometry along Evolution of Mixed Quantum States

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Baglai, Mikhail; Sokolewicz, R. J.; Pervishko, Anastasiia A.; Katsnelson, M. , I et al.

Giant anisotropy of Gilbert damping in a Rashba honeycomb antiferromagnet

Part of Physical Review B, 2020.

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

Green synthesized MgO nanoparticles infer biocompatibility by reducing in vivo molecular nanotoxicity in embryonic zebrafish through arginine interaction elicited apoptosis

Part of Science of the Total Environment, 2020.

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Roondhe, Basant; Jha, Prafulla K.; Ahuja, Rajeev

Haeckelite boron nitride as nano sensor for the detection of hazardous methyl mercury

Part of Applied Surface Science, 2020.

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Mydosh, J. A.; Oppeneer, Peter M.; Riseborough, P. S.

Hidden order and beyond: an experimental-theoretical overview of the multifaceted behavior of URu₂Si₂

Part of Journal of Physics, 2020.

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Azimi Mousolou, Vahid; Bagrov, Andrey; Bergman, Anders; Delin, Anna et al.

Hierarchy of magnon mode entanglement in antiferromagnets

Part of Physical Review B Condensed Matter, 2020.

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Bouziani, I; Benhouria, Y.; Essaoudi, I; Ainane, A. et al.

High Curie temperature in halfmetallic ferromagnets (Zn, Cr, Ti)Se and (Zn, Cr, Ti)Te for spintronic devices: Ab initio and Monte Carlo treatments

Part of Materials Science & Engineering, 2020.

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Majumdar, Arnab; Yang, Xiaoyong; Luo, Wei; Chowdhury, Suman et al.

High exothermic dissociation in van der Waals like hexagonal two dimensional nitrogene from first-principles molecular dynamics

Part of Applied Surface Science, 2020.

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

High Thermoelectric Performance in Two-Dimensional Janus Monolayer Material WS-X (X = Se and Te)

Part of ACS Applied Materials and Interfaces, p. 46212-46219, 2020.

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Ritzmann, Ulrike; Balaz, Pavel; Maldonado, Pablo; Carva, Karel et al.

High-frequency magnon excitation due to femtosecond spin-transfer torques

Part of Physical Review B, 2020.

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Sharma, Pratigya; Sundaram, Manickam Minakshi; Singh, Deobrat; Ahuja, Rajeev

Highly Energetic and Stable Gadolinium/Bismuth Molybdate with a Fast Reactive Species, Redox Mechanism of Aqueous Electrolyte

Part of ACS Applied Energy Materials, p. 12385-12399, 2020.

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Singh, Deobrat; Ahuja, Rajeev

Highly Sensitive Gas Sensing Material for Environmentally Toxic Gases Based on Janus NbSeTe Monolayer

Part of Nanomaterials, 2020.

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Shiranzaei, Mahroo; Fransson, Jonas; Black-Schaffer, Annica M.; Parhizgar, Fariborz

Highly tunable magnetic coupling in ultrathin topological insulator films due to impurity resonances

Part of Physical Review B, 2020.

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Lacnjevac, Uros; Vasilic, Rastko; Dobrota, Ana; Durdic, Sladana et al.

High-performance hydrogen evolution electrocatalysis using proton-intercalated TiO2 nanotube arrays as interactive supports for Ir nanoparticles

Part of Journal of Materials Chemistry A, p. 22773-22790, 2020.

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Zhou, Di; Semenok, Dmitrii V.; Xie, Hui; Huang, Xiaoli et al.

High-Pressure Synthesis of Magnetic Neodymium Polyhydrides

Part of Journal of the American Chemical Society, p. 2803-2811, 2020.

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Vishina, Alena; Vekilova, Olga Yu.; Bjorkman, Torbjorn; Bergman, Anders et al.

High-throughput and data-mining approach to predict new rare-earth free permanent magnets

Part of Physical Review B, 2020.

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Koerfer, Ebba

How do iodized nucleotides fragment due to photoactivation?

2020.

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Gutic, Sanjin J.; Dobrota, Ana S.; Fako, Edvin; Skorodumova, Natalia V. et al.

Hydrogen Evolution Reaction-From Single Crystal to Single Atom Catalysts

Part of Catalysts, 2020.

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Khossossi, Nabil; Benhouria, Younes; Naqvi, S. Rabab; Panda, Pritam Kumar et al.

Hydrogen storage characteristics of Li and Na decorated 2D boron phosphide

Part of Sustainable Energy & Fuels, p. 4538-4546, 2020.

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Mashkoori, Mahdi; Pradhan, Saurabh; Björnson, Kristofer; Fransson, Jonas et al.

Identification of topological superconductivity in magnetic impurity systems using bulk spin polarization

Part of Physical Review B, 2020.

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Singh, Deobrat; Panda, Pritam Kumar; Khossossi, Nabil; Mishra, Yogendra Kumar et al.

Impact of edge structures on interfacial interactions and efficient visible-light photocatalytic activity of metal-semiconductor hybrid 2D materials

Part of Catalysis Science & Technology, p. 3279-3289, 2020.

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Panigrahi, Puspamitra; Alhameedi, Khidhir; Karton, Amir; Ahuja, Rajeev et al.

Improved Adsorption and Migration of Divalent Ions Over C4N Nanosheets: Potential Anode for Divalent Batteries

Part of SURFACES AND INTERFACES, 2020.

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Aperis, Alex; Morooka, Eiakihonroeda; Oppeneer, Peter M.

Influence of electron-phonon coupling strength on signatures of even and odd-frequency superconductivity

Part of Annals of Physics, 2020.

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Anikina, E. V.; Banerjee, A.; Beskachko, V. P.; Ahuja, Rajeev

Influence of Kubas-type interaction of B-Ni codoped graphdiyne with hydrogen molecules on desorption temperature and storage efficiency

Part of Materials Today Energy, 2020.

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Srimathi, K.; Hussain, Tanveer; Panigrahi, Puspamitra; Subramaniam, N. Ganapathi et al.

Influence of Sodium Iodide doped polypyrrole on green synthesized aluminum doped ZnO for the enhanced charge separation at the interface

Part of Optical materials (Amsterdam), 2020.

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Johansson, Fredrik O. L.; Chen, Xin; Eriksson, Olle; Sanyal, Biplab et al.

Interlayer Charge Transfer in Tin Disulphide: Orbital Anisotropy and Temporal Aspects

Part of Physical Review B, 2020.

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Majumdar, Arnab; VanGennep, Derrick; Brisbois, Jeremy; Chareev, Dmitriy et al.

Interplay of charge density wave and multiband superconductivity in layered quasi-two-dimensional materials: The case of 2H-NbS2 and 2H-NbSe2

Part of Physical Review Materials, 2020.

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Deshpande, Swapnil S.; Deshpande, Mrinalini D.; Hussain, Tanveer; Ahuja, Rajeev

Investigating CO2 storage properties of C2N monolayer functionalized with small metal clusters

Part of Journal of CO2 Utilization, p. 1-13, 2020.

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Yang, Xiaoyong; Yu, Yang; Liu, Yang; Wang, Ziwei et al.

Investigating the solution and diffusion properties of hydrogen in alpha-Uranium by first-principles calculations

Part of Progress in nuclear energy (New series), 2020.

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Aydin, Alhun; Sisman, Altug; Kosloff, Ronnie

Landauer’s Principle in a Quantum Szilard Engine without Maxwell’s Demon

Part of Entropy, 2020.

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Husain, Sajid; Chen, Xin; Gupta, Rahul; Behera, Nilamani et al.

Large Damping-Like Spin–Orbit Torque in a 2D Conductive 1T-TaS₂ Monolayer

Part of Nano letters (Print), p. 6372-6380, 2020.

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Parhizgar, Fariborz; Black-Schaffer, Annica M.

Large Josephson current in Weyl nodal loop semimetals due to odd-frequency superconductivity

Part of NPJ QUANTUM MATERIALS, 2020.

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Arslanov, T. R.; Zalibekov, U. Z.; Kilanski, L.; Fedorchenko, I. , V et al.

Large pressure-induced magnetoresistance in a hybrid ferromagnet-semiconductor system: Effect of matrix modification on the spin-dependent scattering

Part of Journal of Applied Physics, 2020.

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Appelt, W. H.; Östlin, A.; Di Marco, Igor; Leonov, I et al.

Lattice dynamics of palladium in the presence of electronic correlations

Part of Physical Review B, 2020.

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Anikina, Ekaterina; Banerjee, Amitava; Beskachko, Valery; Ahuja, Rajeev

Li-decorated carbyne for hydrogen storage: charge induced polarization and van't Hoff hydrogen desorption temperature

Part of Sustainable Energy & Fuels, p. 691-699, 2020.

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George, Sebastian; Kádas, Krisztina; Jönsson, Petra; Muscas, Giuseppe et al.

Local structure in amorphous Sm_xCo_1-x: a combined experimental and theoretical study

Part of Journal of Materials Science, p. 12488-12498, 2020.

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Pervishko, Anastasiia A.; Yudin, Dmitry; Gudelli, Vijay Kumar; Delin, Anna et al.

Localized surface electromagnetic waves in CrI3-based magnetophotonic structures

Part of Optics Express, p. 29155-29165, 2020.

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Herper, Heike C.; Vekilova, Olga Yu; Simak, Sergei I.; Di Marco, Igor et al.

Localized versus itinerant character of 4f-states in cerium oxides

Part of Journal of Physics, 2020.

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Mondal, Amit Kumar; Brown, Noam; Mishra, Suryakant; Makam, Pandeeswar et al.

Long-Range Spin-Selective Transport in Chiral Metal-Organic Crystals with Temperature-Activated Magnetization

Part of ACS Nano, p. 16624-16633, 2020.

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Landbris, Maja

Luftledningskonstruktion: Vad begränsar en luftledningsstolpe?

2020.

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Weyrauch, Michael; Rakov, Mykhailo V.

Luttinger liquid properties from tensor network data

Part of Physical Review B, 2020.

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Ciuciulkaite, Agne; Mishra, Kshiti; Moro, Marcos V.; Chioar, Ioan-Augustin et al.

Magnetic and all-optical switching properties of amorphous TbxCo100-x alloys

Part of Physical Review Materials, 2020.

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Iacovita, C.; Hurst, Jerome; Manfredi, G.; Hervieux, P. A. et al.

Magnetic force fields of isolated small nanoparticle clusters

Part of Nanoscale, p. 1842-1851, 2020.

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Keshavarz, Samara; Di Marco, Igor; Thonig, Danny; Chioncel, L. et al.

Magnetic two-dimensional electron liquid at the surface of Heusler semiconductors

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Ehrler, Jonathan; Sanyal, Biplab; Grenzer, Joerg; Zhou, Shengqiang et al.

Magneto-structural correlations in a systematically disordered B2 lattice

Part of New Journal of Physics, 2020.

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Baldo Mesa Casa, Lucas

Majorana bound states in Rashba nanowire junctions

2020.

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Chen, Xin; Liu, Yuhang; Sanyal, Biplab

Manipulation of Electronic and Magnetic Properties of 3d Transition Metal (Cr, Mn, Fe) Hexamers on Graphene with Vacancy Defects: Insights from First-Principles Theory

Part of The Journal of Physical Chemistry C, p. 4270-4278, 2020.

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