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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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Phase Modulation of (1T‐2H)‐MoSe2/TiC‐C Shell/Core Arrays via Nitrogen Doping for Highly Efficient Hydrogen Evolution Reaction

Advanced materials (Weinheim), 2018-08, Vol.30 (34), p.e1802223-n/a

2018

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Photodepositing CdS on the Active Cyano Groups Decorated g‐C3N4 in Z‐Scheme Manner Promotes Visible‐Light‐Driven Hydrogen Evolution

Small (Weinheim an der Bergstrasse, Germany), 2021-10, Vol.17 (39), p.n/a

2021

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Interlayer gap widened α-phase molybdenum trioxide as high-rate anodes for dual-ion-intercalation energy storage devices

Nature communications, 2020-03, Vol.11 (1), p.1348-1348, Article 1348

2020

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Transforming Photocatalytic g‐C3N4/MoSe2 into a Direct Z‐Scheme System via Boron‐Doping: A Hybrid DFT Study

ChemSusChem, 2020-09, Vol.13 (18), p.4985-4993

2020

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Data‐Driven Screening of Pivotal Subunits in Edge‐Anchored Single Atom Catalysts for Oxygen Reactions

Advanced functional materials, 2024-07, Vol.34 (28), p.n/a

2024

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Tailoring Mid‐Gap States of Chalcogenide Glass by Pressure‐Induced Hypervalent Bonding Towards the Design of Electrical Switching Materials

Advanced functional materials, 2023-11, Vol.33 (45), p.n/a

2023

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The crystal facet-dependent electrochemical performance of TiO2 nanocrystals for heavy metal detection: Theoretical prediction and experimental proof

Sensors and actuators. B, Chemical, 2018-10, Vol.271 (C), p.195-202

2018

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Formation criterion for binary metal diboride solid solutions established through combinatorial methods

Journal of the American Ceramic Society, 2020-05, Vol.103 (5), p.3338-3348

2020

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Ab Initio Melting Temperatures of Bcc and Hcp Iron Under the Earth’s Inner Core Condition

Geophysical research letters, 2023-03, Vol.50 (5), p.n/a

2023

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Phase Diagram and Electronic Structure of Praseodymium and Plutonium

Physical review. X, 2015, Vol.5 (1), p.011008, Article 011008

2015

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Phase transitions in MgSiO3 post-perovskite in super-Earth mantles

Earth and planetary science letters, 2017-11, Vol.478 (C), p.40-45

2017

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On-the-fly machine-learning for high-throughput experiments: search for rare-earth-free permanent magnets

Scientific reports, 2014-09, Vol.4 (1), p.6367-6367, Article 6367

2014

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Adaptive Variational Quantum Imaginary Time Evolution Approach for Ground State Preparation

Advanced quantum technologies (Online), 2021-12, Vol.4 (12), p.n/a

2021

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Structure, bonding nature and transition dynamics of amorphous Te

Scripta materialia, 2021-09, Vol.202, p.114011, Article 114011

2021

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Growth morphology and properties of metals on graphene

Progress in surface science, 2015-12, Vol.90 (4), p.397-443

2015

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Accelerating materials discovery using integrated deep machine learning approaches

Journal of materials chemistry. A, Materials for energy and sustainability, 2023-12, Vol.11 (47), p.25973-25982

2023

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Structure, bonding and electronic characteristics of amorphous Se

Physical chemistry chemical physics : PCCP, 2024-03, Vol.26 (12), p.951-9516

2024

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Prediction of superconductivity in metallic boron-carbon compounds from 0 to 100 GPa by high-throughput screening

Physical chemistry chemical physics : PCCP, 2023-12, Vol.25 (47), p.32594-3261

2023

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Computationally Driven Discovery of a Family of Layered LiNiB Polymorphs

Angewandte Chemie (International ed.), 2019-10, Vol.58 (44), p.15855-15862

International ed. in English, 2019

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Cooling rate dependence of structural order in Al90Sm10 metallic glass

Journal of applied physics, 2016-07, Vol.120 (1)

2016

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Characterizations of electronic and optical properties of Sb-based phase-change material stabilized by alloying Cr

Applied physics letters, 2021-01, Vol.118 (4)

2021

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Adaptive Variational Quantum Dynamics Simulations

PRX quantum, 2021-07, Vol.2 (3), p.030307, Article 030307

2021

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Unveiling the structure and electronic characteristics of amorphous GeS for high performance threshold switching

Applied physics letters, 2023-09, Vol.123 (11)

2023

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Ferromagnetic Quantum Critical Point Avoided by the Appearance of Another Magnetic Phase in LaCrGe3 under Pressure

Physical review letters, 2016-07, Vol.117 (3)

2016

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

Phase Modulation of (1T‐2H)‐MoSe2/TiC‐C Shell/Core Arrays via Nitrogen Doping for Highly Efficient Hydrogen Evolution Reaction

Photodepositing CdS on the Active Cyano Groups Decorated g‐C3N4 in Z‐Scheme Manner Promotes Visible‐Light‐Driven Hydrogen Evolution

Interlayer gap widened α-phase molybdenum trioxide as high-rate anodes for dual-ion-intercalation energy storage devices

Transforming Photocatalytic g‐C3N4/MoSe2 into a Direct Z‐Scheme System via Boron‐Doping: A Hybrid DFT Study

Data‐Driven Screening of Pivotal Subunits in Edge‐Anchored Single Atom Catalysts for Oxygen Reactions

Tailoring Mid‐Gap States of Chalcogenide Glass by Pressure‐Induced Hypervalent Bonding Towards the Design of Electrical Switching Materials

The crystal facet-dependent electrochemical performance of TiO2 nanocrystals for heavy metal detection: Theoretical prediction and experimental proof

Formation criterion for binary metal diboride solid solutions established through combinatorial methods

Ab Initio Melting Temperatures of Bcc and Hcp Iron Under the Earth’s Inner Core Condition

Phase Diagram and Electronic Structure of Praseodymium and Plutonium

Phase transitions in MgSiO3 post-perovskite in super-Earth mantles

On-the-fly machine-learning for high-throughput experiments: search for rare-earth-free permanent magnets

Adaptive Variational Quantum Imaginary Time Evolution Approach for Ground State Preparation

Structure, bonding nature and transition dynamics of amorphous Te

Growth morphology and properties of metals on graphene

Accelerating materials discovery using integrated deep machine learning approaches

Structure, bonding and electronic characteristics of amorphous Se

Prediction of superconductivity in metallic boron-carbon compounds from 0 to 100 GPa by high-throughput screening

Computationally Driven Discovery of a Family of Layered LiNiB Polymorphs

Cooling rate dependence of structural order in Al90Sm10 metallic glass

Characterizations of electronic and optical properties of Sb-based phase-change material stabilized by alloying Cr

Adaptive Variational Quantum Dynamics Simulations

Unveiling the structure and electronic characteristics of amorphous GeS for high performance threshold switching

Ferromagnetic Quantum Critical Point Avoided by the Appearance of Another Magnetic Phase in LaCrGe3 under Pressure

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