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High performance platinum single atom electrocatalyst for oxygen reduction reaction

Nature communications, 2017-07, Vol.8 (1), p.15938-15938, Article 15938

2017

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Algorithm screening to accelerate discovery of 2D metal-free electrocatalysts for hydrogen evolution reaction

Journal of materials chemistry. A, Materials for energy and sustainability, 2019, Vol.7 (33), p.1929-19296

2019

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The oxygen reduction reaction on Pt(111) and Pt(100) surfaces substituted by subsurface Cu: a theoretical perspective

Journal of materials chemistry. A, Materials for energy and sustainability, 2015-01, Vol.3 (21), p.11444-11452

2015

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What is the promising anode material for Na ion batteries

Science bulletin, 2018-02, Vol.63 (3), p.146-148

2018

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Theoretical Studies on Ethanol Dissociation on Iron Nanoparticles in the Early Stage of SWCNT Growth

Journal of physical chemistry. C, 2017-02, Vol.121 (4), p.2276-2284

2017

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A first-principles study on the role of hydrogen in early stage of graphene growth during the CH4 dissociation on Cu(111) and Ni(111) surfaces

Carbon (New York), 2014-08, Vol.74, p.255-265

2014

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Molten‐Salt‐Assisted Synthesis of 3D Holey N‐Doped Graphene as Bifunctional Electrocatalysts for Rechargeable Zn–Air Batteries

Small methods, 2018-10, Vol.2 (10), p.n/a

2018

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Importance of oxygen in single-walled carbon nanotube growth: Insights from QM/MD simulations

Carbon (New York), 2017-09, Vol.121, p.292-300

2017

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CH4 dissociation on NiM(111) (M=Co, Rh, Ir) surface: A first-principles study

Surface science, 2013-11, Vol.617, p.149-155

2013

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Crystalline Ni3C as both carbon source and catalyst for graphene nucleation: a QM/MD study

Scientific reports, 2015-07, Vol.5 (1), p.12091-12091, Article 12091

2015

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Erratum: High performance platinum single atom electrocatalyst for oxygen reduction reaction

Nature communications, 2017-09, Vol.8 (1), p.16160-16160, Article 16160

2017

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QM/MD studies on graphene growth from small islands on the Ni(111) surface

Nanoscale, 2016, Vol.8 (5), p.3067-3074

2016

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Graphene Nucleation from Amorphous Nickel Carbides: QM/MD Studies on the Role of Subsurface Carbon Density

Journal of physical chemistry. C, 2014-05, Vol.118 (20), p.11078-11084

2014

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Transition metal anchored C2N monolayers as efficient bifunctional electrocatalysts for hydrogen and oxygen evolution reactions

Journal of materials chemistry. A, Materials for energy and sustainability, 2018, Vol.6 (24), p.11446-11452

2018

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Doped fullerene as a metal-free electrocatalyst for oxygen reduction reaction: A first-principles study

Carbon (New York), 2017-04, Vol.114, p.393-401

2017

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Boosting bifunctional electrocatalytic activity in S and N co-doped carbon nanosheets for high-efficiency Zn-air batteries

Journal of materials chemistry. A, Materials for energy and sustainability, 2020-02, Vol.8 (8), p.4386-4395

2020

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Advanced Pt-based electrocatalysts for the hydrogen evolution reaction in alkaline medium

Nanoscale, 2023-07, Vol.15 (28), p.11759-11776

2023

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Understanding the role of axial O in CO2 electroreduction on NiN4 single-atom catalysts via simulations in realistic electrochemical environment

Journal of materials chemistry. A, Materials for energy and sustainability, 2021-10, Vol.9 (41), p.23515-23521

2021

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Carbon‐Supported Divacancy‐Anchored Platinum Single‐Atom Electrocatalysts with Superhigh Pt Utilization for the Oxygen Reduction Reaction

Angewandte Chemie International Edition, 2019-01, Vol.58 (4), p.1163-1167

International ed. in English, 2019

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First-Principles Study on Nitrobenzene-Doped Graphene as a Metal-Free Electrocatalyst for Oxygen Reduction Reaction

Journal of physical chemistry. C, 2016-04, Vol.120 (16), p.8804-8812

2016

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From Single Metals to High‐Entropy Alloys: How Machine Learning Accelerates the Development of Metal Electrocatalysts

Advanced functional materials, 2024-08, Vol.34 (34), p.n/a

2024

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Dual-site oxygen reduction reaction mechanism on CoN4 and CoN2 embedded graphene: Theoretical insights

Carbon (New York), 2016-11, Vol.108, p.541-550

2016

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Rational design of C2N-based type-II heterojunctions for overall photocatalytic water splitting

Nanoscale advances, 2019-01, Vol.1 (1), p.154-161

2019

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Visible-light-driven CdS/ZnS heterojunctions with excellent photocatalytic performance for organic dyes removal

Journal of molecular structure, 2024-12, Vol.1317, p.139188, Article 139188

2024

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Flower-like covalent organic frameworks as host materials for high-performance lithium-sulfur batteries

Chemical engineering journal (Lausanne, Switzerland : 1996), 2024-07, Vol.491, p.151979, Article 151979

2024

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High performance platinum single atom electrocatalyst for oxygen reduction reaction

Algorithm screening to accelerate discovery of 2D metal-free electrocatalysts for hydrogen evolution reaction

The oxygen reduction reaction on Pt(111) and Pt(100) surfaces substituted by subsurface Cu: a theoretical perspective

What is the promising anode material for Na ion batteries

Theoretical Studies on Ethanol Dissociation on Iron Nanoparticles in the Early Stage of SWCNT Growth

A first-principles study on the role of hydrogen in early stage of graphene growth during the CH4 dissociation on Cu(111) and Ni(111) surfaces

Molten‐Salt‐Assisted Synthesis of 3D Holey N‐Doped Graphene as Bifunctional Electrocatalysts for Rechargeable Zn–Air Batteries

Importance of oxygen in single-walled carbon nanotube growth: Insights from QM/MD simulations

CH4 dissociation on NiM(111) (M=Co, Rh, Ir) surface: A first-principles study

Crystalline Ni3C as both carbon source and catalyst for graphene nucleation: a QM/MD study

Erratum: High performance platinum single atom electrocatalyst for oxygen reduction reaction

QM/MD studies on graphene growth from small islands on the Ni(111) surface

Graphene Nucleation from Amorphous Nickel Carbides: QM/MD Studies on the Role of Subsurface Carbon Density

Transition metal anchored C2N monolayers as efficient bifunctional electrocatalysts for hydrogen and oxygen evolution reactions

Doped fullerene as a metal-free electrocatalyst for oxygen reduction reaction: A first-principles study

Boosting bifunctional electrocatalytic activity in S and N co-doped carbon nanosheets for high-efficiency Zn-air batteries

Advanced Pt-based electrocatalysts for the hydrogen evolution reaction in alkaline medium

Understanding the role of axial O in CO2 electroreduction on NiN4 single-atom catalysts via simulations in realistic electrochemical environment

Carbon‐Supported Divacancy‐Anchored Platinum Single‐Atom Electrocatalysts with Superhigh Pt Utilization for the Oxygen Reduction Reaction

First-Principles Study on Nitrobenzene-Doped Graphene as a Metal-Free Electrocatalyst for Oxygen Reduction Reaction

From Single Metals to High‐Entropy Alloys: How Machine Learning Accelerates the Development of Metal Electrocatalysts

Dual-site oxygen reduction reaction mechanism on CoN4 and CoN2 embedded graphene: Theoretical insights

Rational design of C2N-based type-II heterojunctions for overall photocatalytic water splitting

Visible-light-driven CdS/ZnS heterojunctions with excellent photocatalytic performance for organic dyes removal

Flower-like covalent organic frameworks as host materials for high-performance lithium-sulfur batteries

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