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Diverse and tunable electronic structures of single-layer metal phosphorus trichalcogenides for photocatalytic water splitting

The Journal of chemical physics, 2014-02, Vol.140 (5), p.054707-054707

2014

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Surface evolution of a Pt–Pd–Au electrocatalyst for stable oxygen reduction

Nature energy, 2017-07, Vol.2 (8), Article 17111

2017

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Theoretical calculations and experimental verification of carbon dioxide reduction electrocatalyzed by metalloporphyrin

Journal of colloid and interface science, 2024-08, Vol.668, p.366-374

2024

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Polycrystalline Few-Layer Graphene as a Durable Anticorrosion Film for Copper

Nano letters, 2021-01, Vol.21 (2), p.1161-1168

2021

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Tunable electronic and magnetic properties of WS2 nanoribbons

Journal of applied physics, 2013-09, Vol.114 (9)

2013

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Single-layer Group-IVB nitride halides as promising photocatalysts

Journal of materials chemistry. A, Materials for energy and sustainability, 2014-01, Vol.2 (19), p.6755-6761

2014

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The role of permanent and induced electrostatic dipole moments for Schottky barriers in Janus MXY/graphene heterostructures: a first-principles study

Dalton transactions : an international journal of inorganic chemistry, 2022-06, Vol.51 (25), p.995-9914

2022

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How spin state and oxidation number of transition metal atoms determine molecular adsorption: a first-principles case study for NH3

Physical chemistry chemical physics : PCCP, 2024-02, Vol.26 (9), p.7688-7694

2024

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The unique photoelectronic properties of the two-dimensional Janus MoSSe/WSSe superlattice: a first-principles study

Dalton transactions : an international journal of inorganic chemistry, 2022-11, Vol.51 (42), p.1612-1611

2022

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The unique carrier mobility of monolayer Janus MoSSe nanoribbons: a first-principles study

Dalton transactions : an international journal of inorganic chemistry, 2021-07, Vol.5 (29), p.1252-126

2021

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Electronic structures and optical properties of two-dimensional ScN and YN nanosheets

Journal of applied physics, 2014-03, Vol.115 (9)

2014

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Size dependence of the structures and energetic and electronic properties of gold clusters

The Journal of chemical physics, 2007-02, Vol.126 (8), p.084505-084505-8

2007

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Photoinduced Electron Transfer in DNA: Charge Shift Dynamics Between 8‑Oxo-Guanine Anion and Adenine

The journal of physical chemistry. B, 2015-06, Vol.119 (24), p.7491-7502

2015

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Novel Synthesis and Applications of Metal, Metal Oxides (MOs), and Transition Metal Dichalcogenides (TMDs) for Energy, Sensing, and Memory Applications

Advances in materials science and engineering, 2019, Vol.2019, p.1-2

2019

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Adaptive cluster expansion approach for predicting the structure evolution of graphene oxide

The Journal of chemical physics, 2014-12, Vol.141 (22), p.224703-224703

2014

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Characterization of Layer Number of Two-Dimensional Transition Metal Diselenide Semiconducting Devices Using Si-Peak Analysis

Advances in materials science and engineering, 2019, Vol.2019 (2019), p.1-7

2019

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Discrete Dipole Approximation Simulation of the Surface Plasmon Resonance of Core/Shell Nanostructure and the Study of Resonance Cavity Effect

Journal of physical chemistry. C, 2012-11, Vol.116 (45), p.24046-24053

2012

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The influence of edge and corner evolution on plasmon properties and resonant edge effect in gold nanoplatelets

Physical chemistry chemical physics : PCCP, 2015-01, Vol.17 (4), p.2641-265

2015

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Structures, stabilities and electronic properties of defects in monolayer black phosphorus

Scientific reports, 2015-06, Vol.5 (1), p.10848-10848, Article 10848

2015

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Reaction Mechanism with Thermodynamic Structural Screening for Electrochemical Hydrogen Evolution on Monolayer 1T′ Phase MoS2

Chemistry of materials, 2018-08, Vol.30 (15), p.5404-5411

2018

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Computational Screening of Electrocatalytic Materials for Hydrogen Evolution: Platinum Monolayer on Transitional Metals

Journal of physical chemistry. C, 2019-01, Vol.123 (1), p.495-503

2019

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Enhancing the oxygen evolution reaction performance of NiFeOOH electrocatalyst for Zn-air battery by N-doping

Journal of catalysis, 2020-09, Vol.389, p.375-381

2020

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The intrinsic mechanism of methane oxidation under explosion condition: A combined ReaxFF and DFT study

Fuel (Guildford), 2014-05, Vol.124, p.85-90

2014

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A highly stable bifunctional catalyst based on 3D Co(OH)2@NCNTs@NF towards overall water-splitting

Nano energy, 2018-05, Vol.47, p.96-104

2018

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Uncovering the Surface and Phase Effect of Molybdenum Carbides on Hydrogen Evolution: A First-Principles Study

Journal of physical chemistry. C, 2019-09, Vol.123 (36), p.21878-21887

2019

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Diverse and tunable electronic structures of single-layer metal phosphorus trichalcogenides for photocatalytic water splitting

Surface evolution of a Pt–Pd–Au electrocatalyst for stable oxygen reduction

Theoretical calculations and experimental verification of carbon dioxide reduction electrocatalyzed by metalloporphyrin

Polycrystalline Few-Layer Graphene as a Durable Anticorrosion Film for Copper

Tunable electronic and magnetic properties of WS2 nanoribbons

Single-layer Group-IVB nitride halides as promising photocatalysts

The role of permanent and induced electrostatic dipole moments for Schottky barriers in Janus MXY/graphene heterostructures: a first-principles study

How spin state and oxidation number of transition metal atoms determine molecular adsorption: a first-principles case study for NH3

The unique photoelectronic properties of the two-dimensional Janus MoSSe/WSSe superlattice: a first-principles study

The unique carrier mobility of monolayer Janus MoSSe nanoribbons: a first-principles study

Electronic structures and optical properties of two-dimensional ScN and YN nanosheets

Size dependence of the structures and energetic and electronic properties of gold clusters

Photoinduced Electron Transfer in DNA: Charge Shift Dynamics Between 8‑Oxo-Guanine Anion and Adenine

Novel Synthesis and Applications of Metal, Metal Oxides (MOs), and Transition Metal Dichalcogenides (TMDs) for Energy, Sensing, and Memory Applications

Adaptive cluster expansion approach for predicting the structure evolution of graphene oxide

Characterization of Layer Number of Two-Dimensional Transition Metal Diselenide Semiconducting Devices Using Si-Peak Analysis

Discrete Dipole Approximation Simulation of the Surface Plasmon Resonance of Core/Shell Nanostructure and the Study of Resonance Cavity Effect

The influence of edge and corner evolution on plasmon properties and resonant edge effect in gold nanoplatelets

Structures, stabilities and electronic properties of defects in monolayer black phosphorus

Reaction Mechanism with Thermodynamic Structural Screening for Electrochemical Hydrogen Evolution on Monolayer 1T′ Phase MoS2

Computational Screening of Electrocatalytic Materials for Hydrogen Evolution: Platinum Monolayer on Transitional Metals

Enhancing the oxygen evolution reaction performance of NiFeOOH electrocatalyst for Zn-air battery by N-doping

The intrinsic mechanism of methane oxidation under explosion condition: A combined ReaxFF and DFT study

A highly stable bifunctional catalyst based on 3D Co(OH)2@NCNTs@NF towards overall water-splitting

Uncovering the Surface and Phase Effect of Molybdenum Carbides on Hydrogen Evolution: A First-Principles Study

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