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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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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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First-principles study, fabrication and characterization of (Zr0.25Nb0.25Ti0.25V0.25)C high-entropy ceramics

Acta materialia, 2019-05, Vol.170 (C), p.15-23

2019

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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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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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ZIF-67-derived Co3O4@carbon protected by oxygen-buffering CeO2 as an efficient catalyst for boosting oxygen reduction/evolution reactions

Journal of materials chemistry. A, Materials for energy and sustainability, 2019, Vol.7 (45), p.25853-25864

2019

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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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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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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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Selenium Edge as a Selective Anchoring Site for Lithium–Sulfur Batteries with MoSe2/Graphene-Based Cathodes

ACS applied materials & interfaces, 2019-06, Vol.11 (22), p.19986-19993

2019

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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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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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ZIF-67-derived CoO (tetrahedral Co2+)@nitrogen-doped porous carbon protected by oxygen vacancies-enriched SnO2 as highly active catalyst for oxygen reduction and Pt co-catalyst for methanol oxidation

Applied catalysis. B, Environmental, 2019-12, Vol.259, p.118043, Article 118043

2019

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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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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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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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Electrochemical and density functional theory investigation on the differential behaviors of core-ring structured NiCo2O4 nanoplatelets toward heavy metal ions

Analytica chimica acta, 2018-08, Vol.1022, p.37-44

2018

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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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Cooling rate dependence of structural order in Al90Sm10 metallic glass

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

2016

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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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Structure, bonding nature and transition dynamics of amorphous Te

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

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

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

First-principles study, fabrication and characterization of (Zr0.25Nb0.25Ti0.25V0.25)C high-entropy ceramics

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

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

ZIF-67-derived Co3O4@carbon protected by oxygen-buffering CeO2 as an efficient catalyst for boosting oxygen reduction/evolution reactions

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

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

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

Selenium Edge as a Selective Anchoring Site for Lithium–Sulfur Batteries with MoSe2/Graphene-Based Cathodes

Growth morphology and properties of metals on graphene

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

ZIF-67-derived CoO (tetrahedral Co2+)@nitrogen-doped porous carbon protected by oxygen vacancies-enriched SnO2 as highly active catalyst for oxygen reduction and Pt co-catalyst for methanol oxidation

Computationally Driven Discovery of a Family of Layered LiNiB Polymorphs

Phase Diagram and Electronic Structure of Praseodymium and Plutonium

Accelerating materials discovery using integrated deep machine learning approaches

Electrochemical and density functional theory investigation on the differential behaviors of core-ring structured NiCo2O4 nanoplatelets toward heavy metal ions

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

Cooling rate dependence of structural order in Al90Sm10 metallic glass

Structure, bonding and electronic characteristics of amorphous Se

Structure, bonding nature and transition dynamics of amorphous Te

Adaptive Variational Quantum Dynamics Simulations

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

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