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Part-crystalline part-liquid state and rattling-like thermal damping in materials with chemical-bond hierarchy

Proceedings of the National Academy of Sciences - PNAS, 2014-10, Vol.111 (42), p.15031-15035

2014

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Bond Electronegativity as Hydrogen Evolution Reaction Catalyst Descriptor for Transition Metal (TM = Mo, W) Dichalcogenides

Chemistry of materials, 2020-02, Vol.32 (3), p.1224-1234

2020

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Auto-optimizing Hydrogen Evolution Catalytic Activity of ReS2 through Intrinsic Charge Engineering

ACS nano, 2018-05, Vol.12 (5), p.4486-4493

2018

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Adsorption-energy-based activity descriptors for electrocatalysts in energy storage applications

National science review, 2018-05, Vol.5 (3), p.327-341

2018

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On the tuning of electrical and thermal transport in thermoelectrics: an integrated theory–experiment perspective

npj computational materials, 2016-02, Vol.2 (1), p.15015-15015, Article 15015

2016

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Triple Conductive Wiring by Electron Doping, Chelation Coating and Electrochemical Conversion in Fluffy Nb2O5 Anodes for Fast‐Charging Li‐Ion Batteries

Advanced science, 2022-09, Vol.9 (25), p.n/a

2022

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Recent advances in machine learning interatomic potentials for cross-scale computational simulation of materials

Science China materials, 2024-04, Vol.67 (4), p.1082-1100

2024

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Recent progress in theoretical and computational investigations of structural stability and activity of single-atom electrocatalysts

Progress in natural science, 2019-06, Vol.29 (3), p.256-264

2019

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Significant Roles of Intrinsic Point Defects in Mg2X (X = Si, Ge, Sn) Thermoelectric Materials

Advanced electronic materials, 2016-02, Vol.2 (2), p.n/a

2016

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Superposed Redox Chemistry of Fused Carbon Rings in Cyclooctatetraene-Based Organic Molecules for High-Voltage and High-Capacity Cathodes

ACS applied materials & interfaces, 2018-01, Vol.10 (3), p.2496-2503

2018

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Intrinsically low thermal conductivity from a quasi-one-dimensional crystal structure and enhanced electrical conductivity network via Pb doping in SbCrSe3

NPG Asia materials, 2017-06, Vol.9 (6), p.e387-e387

2017

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Identification and functional characterization of intermediate-size non-coding RNAs in maize

BMC genomics, 2018-10, Vol.19 (1), p.730-730, Article 730

2018

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Hydrogenated Germanene Nanosheets as an Antioxidative Defense Agent for Acute Kidney Injury Treatment

Advanced science, 2022-11, Vol.9 (33), p.e2202933-n/a

2022

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Electrochemical Activity of Positive Electrode Material of P2-Na x [Mg 0.33 Mn 0.67 ]O 2 Sodium Ion Battery

Wu ji cai liao xue bao, 2021-06, Vol.36 (6), p.623

2021

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Silicene: Wet‐Chemical Exfoliation Synthesis and Biodegradable Tumor Nanomedicine

Advanced materials (Weinheim), 2019-09, Vol.31 (37), p.e1903013-n/a

2019

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Exploring the thermal and optical characteristics of Ti3C2 MXene for enhanced photothermal conversion

Computational and theoretical chemistry, 2024-11, Vol.1241, p.114903, Article 114903

2024

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Structural Design Principle of Rocksalt Oxides for Li-Excess Cathode Materials

ACS nano, 2024-01, Vol.18 (3), p.2302-2311

2024

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Phonon＂ scattering beyond perturbation theory

Science China. Physics, mechanics & astronomy, 2016-02, Vol.59 (2), p.28-35, Article 627001

2016

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Unlock Restricted Capacity via OCe Hybridization for LiOxygen Batteries

Advanced materials (Weinheim), 2023-04, Vol.35 (14), p.e2210867-n/a

2023

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Ni Migration Arising from Inter-transition Metal Charge Transfer in the NCM811 System

Journal of physical chemistry. C, 2023-06, Vol.127 (22), p.10853-10860

2023

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Multiscale computations and artificial intelligent models of electrochemical performance in Li‐ion battery materials

Wiley interdisciplinary reviews. Computational molecular science, 2022-07, Vol.12 (4), p.e1592-n/a

2022

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Identifying Metallic Transition-Metal Dichalcogenides for Hydrogen Evolution through Multilevel High-Throughput Calculations and Machine Learning

The journal of physical chemistry letters, 2021-03, Vol.12 (8), p.2102-2111

2021

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Reducing the charge overpotential of Li–O 2 batteries through band-alignment cathode design

Energy & environmental science, 2020-08, Vol.13 (8), p.2540-2548

2020

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Diverse lattice dynamics in ternary Cu-Sb-Se compounds

Scientific reports, 2015-09, Vol.5 (1), p.13643-13643, Article 13643

2015

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Revealing the Mechanism of Mg–Cu Heterolayer Doping on Ni/Li Migration Dynamics for NCM811 Cathode

Journal of physical chemistry. C, 2024-06, Vol.128 (25), p.10308-10316

2024

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Part-crystalline part-liquid state and rattling-like thermal damping in materials with chemical-bond hierarchy

Bond Electronegativity as Hydrogen Evolution Reaction Catalyst Descriptor for Transition Metal (TM = Mo, W) Dichalcogenides

Auto-optimizing Hydrogen Evolution Catalytic Activity of ReS2 through Intrinsic Charge Engineering

Adsorption-energy-based activity descriptors for electrocatalysts in energy storage applications

On the tuning of electrical and thermal transport in thermoelectrics: an integrated theory–experiment perspective

Triple Conductive Wiring by Electron Doping, Chelation Coating and Electrochemical Conversion in Fluffy Nb2O5 Anodes for Fast‐Charging Li‐Ion Batteries

Recent advances in machine learning interatomic potentials for cross-scale computational simulation of materials

Recent progress in theoretical and computational investigations of structural stability and activity of single-atom electrocatalysts

Significant Roles of Intrinsic Point Defects in Mg2X (X = Si, Ge, Sn) Thermoelectric Materials

Superposed Redox Chemistry of Fused Carbon Rings in Cyclooctatetraene-Based Organic Molecules for High-Voltage and High-Capacity Cathodes

Intrinsically low thermal conductivity from a quasi-one-dimensional crystal structure and enhanced electrical conductivity network via Pb doping in SbCrSe3

Identification and functional characterization of intermediate-size non-coding RNAs in maize

Hydrogenated Germanene Nanosheets as an Antioxidative Defense Agent for Acute Kidney Injury Treatment

Electrochemical Activity of Positive Electrode Material of P2-Na x [Mg 0.33 Mn 0.67 ]O 2 Sodium Ion Battery

Silicene: Wet‐Chemical Exfoliation Synthesis and Biodegradable Tumor Nanomedicine

Exploring the thermal and optical characteristics of Ti3C2 MXene for enhanced photothermal conversion

Structural Design Principle of Rocksalt Oxides for Li-Excess Cathode Materials

Phonon＂ scattering beyond perturbation theory

Unlock Restricted Capacity via OCe Hybridization for LiOxygen Batteries

Ni Migration Arising from Inter-transition Metal Charge Transfer in the NCM811 System

Multiscale computations and artificial intelligent models of electrochemical performance in Li‐ion battery materials

Identifying Metallic Transition-Metal Dichalcogenides for Hydrogen Evolution through Multilevel High-Throughput Calculations and Machine Learning

Reducing the charge overpotential of Li–O 2 batteries through band-alignment cathode design

Diverse lattice dynamics in ternary Cu-Sb-Se compounds

Revealing the Mechanism of Mg–Cu Heterolayer Doping on Ni/Li Migration Dynamics for NCM811 Cathode

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