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Recent Advances in Novel Materials for Future Spintronics

2019

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First‐principles study, fabrication, and characterization of (Hf0.2Zr0.2Ta0.2Nb0.2Ti0.2)C high‐entropy ceramic

Journal of the American Ceramic Society, 2019-07, Vol.102 (7), p.4344-4352

2019

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First‐Principles Multiscale Modeling of Mechanical Properties in Graphene/Borophene Heterostructures Empowered by Machine‐Learning Interatomic Potentials

Advanced materials (Weinheim), 2021-09, Vol.33 (35), p.e2102807-n/a

2021

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Lithium Chlorides and Bromides as Promising Solid‐State Chemistries for Fast Ion Conductors with Good Electrochemical Stability

Angewandte Chemie (International ed.), 2019-06, Vol.58 (24), p.8039-8043

International ed. in English, 2019

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Prediction the structure, mechanical properties and melting point of D8m‐Mo5SiB2 and Cmcm‐Mo5SiB2

International journal of quantum chemistry, 2021-09, Vol.121 (18), p.n/a

2021

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Stable Dynamics Performance and High Efficiency of ABX3‐Type Super‐Alkali Perovskites First Obtained by Introducing H5O2 Cation

Advanced energy materials, 2019-08, Vol.9 (29), p.n/a

2019

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Brillouin zone and band structure of β-Ga2O3

physica status solidi (b), 2015-04, Vol.252 (4), p.828-832

2015

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Theoretical Insights into the Mechanism of Selective Nitrate‐to‐Ammonia Electroreduction on Single‐Atom Catalysts

Advanced functional materials, 2021-03, Vol.31 (11), p.n/a

2021

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First‐principles investigation of electronic and optical properties of H‐doped FeS2

International journal of energy research, 2021-06, Vol.45 (7), p.11284-11293

2021

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Metal–Organic‐Framework‐Derived Hybrid Carbon Nanocages as a Bifunctional Electrocatalyst for Oxygen Reduction and Evolution

Advanced materials (Weinheim), 2017-08, Vol.29 (31), p.n/a

2017

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Electrochemical Stability of Li10GeP2S12 and Li7La3Zr2O12 Solid Electrolytes

Advanced energy materials, 2016-04, Vol.6 (8), p.n/a

2016

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First‐principles investigation of structural, mechanical, and optoelectronic properties of Hf2AX (A═Al, Si and X═C, N) MAX phases

Journal of the American Ceramic Society, 2024-04, Vol.107 (4), p.2679-2692

2024

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Reducing Interfacial Resistance between Garnet‐Structured Solid‐State Electrolyte and Li‐Metal Anode by a Germanium Layer

Advanced materials (Weinheim), 2017-06, Vol.29 (22), p.n/a

2017

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Complex Band Structures and Lattice Dynamics of Bi2Te3‐Based Compounds and Solid Solutions

Advanced functional materials, 2019-07, Vol.29 (28), p.n/a

2019

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Minimizing hydrogen vacancies to enable highly efficient hybrid perovskites

Nature materials, 2021-07, Vol.20 (7), p.971-976

2021

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Sn(II) chloride speciation and equilibrium Sn isotope fractionation under hydrothermal conditions: A first principles study

Geochimica et cosmochimica acta, 2021-05, Vol.300, p.25-43

2021

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molSimplify: A toolkit for automating discovery in inorganic chemistry

Journal of computational chemistry, 2016-08, Vol.37 (22), p.2106-2117

2016

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Conjugated Microporous Polymer Nanosheets for Overall Water Splitting Using Visible Light

Advanced materials (Weinheim), 2017-10, Vol.29 (38), p.n/a

2017

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Ru-InN Monolayer as a Gas Scavenger to Guard the Operation Status of SF6 Insulation Devices: A First-Principles Theory

IEEE sensors journal, 2019-07, Vol.19 (13), p.5249-5255

2019

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Adsorptions of C5F10O decomposed compounds on the Cu-decorated NiS2 monolayer: a first-principles theory

Molecular physics, 2023-02, Vol.121 (3)

2023

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Structural, magnetic, electronic and mechanical properties of full-Heusler alloys Co2YAl (Y=Fe, Ti): First principles calculations with different exchange-correlation potentials

Journal of magnetism and magnetic materials, 2018-02, Vol.448, p.208-220

2018

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The influence of N-vacancy on the electronic and optical properties of bulk InN nitrides

Materials science & engineering. B, Solid-state materials for advanced technology, 2021-09, Vol.271, p.115265, Article 115265

Pan, Yong

2021

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Redox‐Active Organic Sodium Anthraquinone‐2‐Sulfonate (AQS) Anchored on Reduced Graphene Oxide for High‐Performance Supercapacitors

Advanced energy materials, 2018-11, Vol.8 (31), p.n/a

2018

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High intrinsic lattice thermal conductivity in monolayer MoSi2N4

New journal of physics, 2021-03, Vol.23 (3), p.033005

2021

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Effect of Co addition into Ni film on shear strength of solder/Ni/Cu system: Experimental and theoretical investigations

Materials science & engineering. A, Structural materials : properties, microstructure and processing, 2020-06, Vol.788, p.139589, Article 139589

2020

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Recent Advances in Novel Materials for Future Spintronics

First‐principles study, fabrication, and characterization of (Hf0.2Zr0.2Ta0.2Nb0.2Ti0.2)C high‐entropy ceramic

First‐Principles Multiscale Modeling of Mechanical Properties in Graphene/Borophene Heterostructures Empowered by Machine‐Learning Interatomic Potentials

Lithium Chlorides and Bromides as Promising Solid‐State Chemistries for Fast Ion Conductors with Good Electrochemical Stability

Prediction the structure, mechanical properties and melting point of D8m‐Mo5SiB2 and Cmcm‐Mo5SiB2

Stable Dynamics Performance and High Efficiency of ABX3‐Type Super‐Alkali Perovskites First Obtained by Introducing H5O2 Cation

Brillouin zone and band structure of β-Ga2O3

Theoretical Insights into the Mechanism of Selective Nitrate‐to‐Ammonia Electroreduction on Single‐Atom Catalysts

First‐principles investigation of electronic and optical properties of H‐doped FeS2

Metal–Organic‐Framework‐Derived Hybrid Carbon Nanocages as a Bifunctional Electrocatalyst for Oxygen Reduction and Evolution

Electrochemical Stability of Li10GeP2S12 and Li7La3Zr2O12 Solid Electrolytes

First‐principles investigation of structural, mechanical, and optoelectronic properties of Hf2AX (A═Al, Si and X═C, N) MAX phases

Reducing Interfacial Resistance between Garnet‐Structured Solid‐State Electrolyte and Li‐Metal Anode by a Germanium Layer

Complex Band Structures and Lattice Dynamics of Bi2Te3‐Based Compounds and Solid Solutions

Minimizing hydrogen vacancies to enable highly efficient hybrid perovskites

Sn(II) chloride speciation and equilibrium Sn isotope fractionation under hydrothermal conditions: A first principles study

molSimplify: A toolkit for automating discovery in inorganic chemistry

Conjugated Microporous Polymer Nanosheets for Overall Water Splitting Using Visible Light

Ru-InN Monolayer as a Gas Scavenger to Guard the Operation Status of SF6 Insulation Devices: A First-Principles Theory

Adsorptions of C5F10O decomposed compounds on the Cu-decorated NiS2 monolayer: a first-principles theory

Structural, magnetic, electronic and mechanical properties of full-Heusler alloys Co2YAl (Y=Fe, Ti): First principles calculations with different exchange-correlation potentials

The influence of N-vacancy on the electronic and optical properties of bulk InN nitrides

Redox‐Active Organic Sodium Anthraquinone‐2‐Sulfonate (AQS) Anchored on Reduced Graphene Oxide for High‐Performance Supercapacitors

High intrinsic lattice thermal conductivity in monolayer MoSi2N4

Effect of Co addition into Ni film on shear strength of solder/Ni/Cu system: Experimental and theoretical investigations

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