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Viscosity in water from first-principles and deep-neural-network simulations

npj computational materials, 2022-07, Vol.8 (1), p.1-10, Article 139

2022

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Specialising neural network potentials for accurate properties and application to the mechanical response of titanium

npj computational materials, 2021-12, Vol.7 (1), p.1-11, Article 206

2021

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Pretraining of attention-based deep learning potential model for molecular simulation

npj computational materials, 2024-05, Vol.10 (1), p.94-8, Article 94

2024

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Thermal Conductivity of Water at Extreme Conditions

The journal of physical chemistry. B, 2023-07, Vol.127 (31), p.7011-7017

2023

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One-pot synthesized NiFe2O4/CeO2 composite catalyst for efficient degradation of methylene blue via photocatalysis under visible light

Catalysis communications, 2023-12, Vol.185, p.106814, Article 106814

2023

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A study of thermal etching of GaN by atmospheric argon inductively coupled plasma

Thermochimica acta, 2023-06, Vol.724, p.179491, Article 179491

2023

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Efficiently Trained Deep Learning Potential for Graphane

Journal of physical chemistry. C, 2021-07, Vol.125 (27), p.14874-14882

2021

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Modeling Liquid Water by Climbing up Jacob’s Ladder in Density Functional Theory Facilitated by Using Deep Neural Network Potentials

The journal of physical chemistry. B, 2021-10, Vol.125 (41), p.11444-11456

2021

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DeePKS Model for Halide Perovskites with the Accuracy of a Hybrid Functional

Journal of physical chemistry. C, 2023-09, Vol.127 (37), p.18755-18764

2023

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Rational design of defect-rich tungsten-molybdenum oxide modified carbon supported Pd as superior performances electrocatalyst for formic acid oxidation

International journal of hydrogen energy, 2022-04, Vol.47 (35), p.15742-15752

2022

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The chemical origin of temperature-dependent lithium-ion concerted diffusion in sulfide solid electrolyte Li10GeP2S12

Journal of energy chemistry, 2022-07, Vol.70, p.59-66

2022

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Effect of pulmonary surfactant on the dispersion of carbon nanoparticles

Colloids and surfaces. A, Physicochemical and engineering aspects, 2021-11, Vol.629, p.127399, Article 127399

2021

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Microwave-Assisted Nickel-Catalyzed Rapid Reductive Coupling of Ethyl 3-iodopropionate to Adipic Acid

Catalysis letters, 2021-08, Vol.151 (8), p.2339-2345

2021

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Production of Adipic Acid Derivatives from d-Glucaric Acid by Hydrodeoxygenation Mediated with Hydroiodic Acid

Catalysis letters, 2021-02, Vol.151 (2), p.338-343

2021

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Perovskite Surface Passivation Using Thiophene-Based Small Molecules for Efficient and Stable Solar Cells

ACS applied energy materials, 2023-07, Vol.6 (13), p.7003-7013

2023

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Advances in waterborne polymer/carbon material composites for electromagnetic interference shielding

Carbon (New York), 2021-06, Vol.177, p.412-426

2021

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Ultraflexible and Mechanically Strong Double-Layered Aramid Nanofiber-Ti3C2Tx MXene/Silver Nanowire Nanocomposite Papers for High-Performance Electromagnetic Interference Shielding

ACS nano, 2020-07, Vol.14 (7), p.8368-8382

2020

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Enhancing ionic conductivity of solid electrolyte by lithium substitution in halogenated Li-Argyrodite

Journal of power sources, 2020-02, Vol.450, p.227601, Article 227601

2020

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Vacancies boosting strategy enabling enhanced oxygen evolution activity in a library of novel amorphous selenite electrocatalysts

Applied catalysis. B, Environmental, 2021-05, Vol.284, p.119758, Article 119758

2021

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Rationalizing the Triboelectric Series of Polymers

Chemistry of materials, 2019-03, Vol.31 (5), p.1473-1478

2019

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Critical parameters in TiO2/ZrO2/Carbon-based mesoscopic perovskite solar cell

Journal of power sources, 2015-10, Vol.293, p.533-538

2015

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Effects of N-, P-, or O-containing ligands on gold-based complex catalysts for acetylene hydrochlorination

Applied catalysis. A, General, 2021-02, Vol.612, p.118015, Article 118015

2021

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Ultrafast Carrier Thermalization and Cooling Dynamics in Few-Layer MoS2

ACS nano, 2014-10, Vol.8 (10), p.10931-10940

2014

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In Situ Construction of Protective Films on Zn Metal Anodes via Natural Protein Additives Enabling High-Performance Zinc Ion Batteries

ACS nano, 2022-07, Vol.16 (7), p.11392-11404

2022

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Direct Growth of MoS2/h-BN Heterostructures via a Sulfide-Resistant Alloy

ACS nano, 2016-02, Vol.10 (2), p.2063-2070

2016

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Viscosity in water from first-principles and deep-neural-network simulations

Specialising neural network potentials for accurate properties and application to the mechanical response of titanium

Pretraining of attention-based deep learning potential model for molecular simulation

Thermal Conductivity of Water at Extreme Conditions

One-pot synthesized NiFe2O4/CeO2 composite catalyst for efficient degradation of methylene blue via photocatalysis under visible light

A study of thermal etching of GaN by atmospheric argon inductively coupled plasma

Efficiently Trained Deep Learning Potential for Graphane

Modeling Liquid Water by Climbing up Jacob’s Ladder in Density Functional Theory Facilitated by Using Deep Neural Network Potentials

DeePKS Model for Halide Perovskites with the Accuracy of a Hybrid Functional

Rational design of defect-rich tungsten-molybdenum oxide modified carbon supported Pd as superior performances electrocatalyst for formic acid oxidation

The chemical origin of temperature-dependent lithium-ion concerted diffusion in sulfide solid electrolyte Li10GeP2S12

Effect of pulmonary surfactant on the dispersion of carbon nanoparticles

Microwave-Assisted Nickel-Catalyzed Rapid Reductive Coupling of Ethyl 3-iodopropionate to Adipic Acid

Production of Adipic Acid Derivatives from d-Glucaric Acid by Hydrodeoxygenation Mediated with Hydroiodic Acid

Perovskite Surface Passivation Using Thiophene-Based Small Molecules for Efficient and Stable Solar Cells

Advances in waterborne polymer/carbon material composites for electromagnetic interference shielding

Ultraflexible and Mechanically Strong Double-Layered Aramid Nanofiber-Ti3C2Tx MXene/Silver Nanowire Nanocomposite Papers for High-Performance Electromagnetic Interference Shielding

Enhancing ionic conductivity of solid electrolyte by lithium substitution in halogenated Li-Argyrodite

Vacancies boosting strategy enabling enhanced oxygen evolution activity in a library of novel amorphous selenite electrocatalysts

Rationalizing the Triboelectric Series of Polymers

Critical parameters in TiO2/ZrO2/Carbon-based mesoscopic perovskite solar cell

Effects of N-, P-, or O-containing ligands on gold-based complex catalysts for acetylene hydrochlorination

Ultrafast Carrier Thermalization and Cooling Dynamics in Few-Layer MoS2

In Situ Construction of Protective Films on Zn Metal Anodes via Natural Protein Additives Enabling High-Performance Zinc Ion Batteries

Direct Growth of MoS2/h-BN Heterostructures via a Sulfide-Resistant Alloy

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