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Structural and electrocatalytic properties of copper clusters: A study via deep learning and first principles

The Journal of chemical physics, 2022-08, Vol.157 (7), p.074304-074304

2022

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Intrinsic Electric Fields in Two-dimensional Materials Boost the Solar-to-Hydrogen Efficiency for Photocatalytic Water Splitting

Nano letters, 2018-10, Vol.18 (10), p.6312-6317

2018

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Partially oxidized atomic cobalt layers for carbon dioxide electroreduction to liquid fuel

Nature (London), 2016-01, Vol.529 (7584), p.68-71

2016

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Modulating oxygen coverage of Ti3C2Tx MXenes to boost catalytic activity for HCOOH dehydrogenation

Nature communications, 2020-08, Vol.11 (1), p.4251-4251, Article 4251

2020

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Dynamic oxygen adsorption on single-atomic Ruthenium catalyst with high performance for acidic oxygen evolution reaction

Nature communications, 2019-10, Vol.10 (1), p.4849-9, Article 4849

2019

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Selective hydroboration of unsaturated bonds by an easily accessible heterotopic cobalt catalyst

Nature communications, 2021-06, Vol.12 (1), p.3813-3813, Article 3813

2021

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Theoretical Study of Single-Atom Catalysts for Hydrogen Evolution Reaction Based on BiTeBr Monolayer

Materials, 2024-05, Vol.17 (10), p.2377

2024

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Atomically dispersed iron hydroxide anchored on Pt for preferential oxidation of CO in H2

Nature (London), 2019-01, Vol.565 (7741), p.631-635

2019

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Understanding Single-Atom Catalysis in View of Theory

JACS Au, 2021-12, Vol.1 (12), p.2130-2145

2021

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Formic Acid Dehydrogenation on Ni(111) and Comparison with Pd(111) and Pt(111)

Journal of physical chemistry. C, 2012-02, Vol.116 (6), p.4149-4156

2012

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Transition metal atom embedded graphene for capturing CO: A first-principles study

International journal of hydrogen energy, 2014-12, Vol.39 (35), p.20190-20196

2014

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Quasi Pd1Ni single-atom surface alloy catalyst enables hydrogenation of nitriles to secondary amines

Nature communications, 2019-11, Vol.10 (1), p.1-9, Article 4998

2019

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Two-dimensional van der Waals nanocomposites as Z-scheme type photocatalysts for hydrogen production from overall water splitting

Journal of materials chemistry. A, Materials for energy and sustainability, 2016-01, Vol.4 (48), p.18892-18898

2016

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Mechanistic insights into CO2 conversion chemistry of copper bis-(terpyridine) molecular electrocatalyst using accessible operando spectrochemistry

Nature communications, 2022-10, Vol.13 (1), p.6029-6029, Article 6029

2022

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Highly efficient anion exchange membrane water electrolyzers via chromium-doped amorphous electrocatalysts

Nature communications, 2024-04, Vol.15 (1), p.3416-3416, Article 3416

2024

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Hydrogen Adsorption Structures and Energetics on Iron Surfaces at High Coverage

Journal of physical chemistry. C, 2014-02, Vol.118 (8), p.4181-4188

2014

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Hydrogen generation from formic acid decomposition on Ni(211), Pd(211) and Pt(211)

Journal of molecular catalysis. A, Chemical, 2013-11, Vol.379, p.169-177

2013

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Surface Oxygen Injection in Tin Disulfide Nanosheets for Efficient CO2 Electroreduction to Formate and Syngas

Nano-micro letters, 2021-12, Vol.13 (1), p.189-189, Article 189

2021

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Molybdenum carbide catalysed hydrogen production from formic acid - A density functional theory study

Journal of power sources, 2014, Vol.246, p.548-555

2014

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Regulating atomic Fe-Rh site distance for efficient oxygen reduction reaction

Science China. Chemistry, 2024-04, Vol.67 (4), p.1352-1359

2024

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Stable surface terminations of orthorhombic Mo2C catalysts and their CO activation mechanisms

Applied catalysis. A, General, 2014-05, Vol.478, p.146-156

2014

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Acrolein Hydrogenation on Ni(111)

Journal of physical chemistry. C, 2013-06, Vol.117 (24), p.12715-12724

2013

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Adsorption of Nin (n = 1‒4) clusters on perfect and O-defective CuAl2O4 surfaces: A DFT study

Chinese chemical letters, 2019-06, Vol.30 (6), p.1147-1152

2019

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Single Mo1(Cr1) Atom on Nitrogen-Doped Graphene Enables Highly Selective Electroreduction of Nitrogen into Ammonia

ACS catalysis, 2019-04, Vol.9 (4), p.3419-3425

2019

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Improving the Activity of Electrocatalysts toward the Hydrogen Evolution Reaction, the Oxygen Evolution Reaction, and the Oxygen Reduction Reaction via Modification of Metal and Ligand of Conductive Two-Dimensional Metal–Organic Frameworks

The journal of physical chemistry letters, 2021-12, Vol.12 (48), p.11652-11658

2021

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Structural and electrocatalytic properties of copper clusters: A study via deep learning and first principles

Intrinsic Electric Fields in Two-dimensional Materials Boost the Solar-to-Hydrogen Efficiency for Photocatalytic Water Splitting

Partially oxidized atomic cobalt layers for carbon dioxide electroreduction to liquid fuel

Modulating oxygen coverage of Ti3C2Tx MXenes to boost catalytic activity for HCOOH dehydrogenation

Dynamic oxygen adsorption on single-atomic Ruthenium catalyst with high performance for acidic oxygen evolution reaction

Selective hydroboration of unsaturated bonds by an easily accessible heterotopic cobalt catalyst

Theoretical Study of Single-Atom Catalysts for Hydrogen Evolution Reaction Based on BiTeBr Monolayer

Atomically dispersed iron hydroxide anchored on Pt for preferential oxidation of CO in H2

Understanding Single-Atom Catalysis in View of Theory

Formic Acid Dehydrogenation on Ni(111) and Comparison with Pd(111) and Pt(111)

Transition metal atom embedded graphene for capturing CO: A first-principles study

Quasi Pd1Ni single-atom surface alloy catalyst enables hydrogenation of nitriles to secondary amines

Two-dimensional van der Waals nanocomposites as Z-scheme type photocatalysts for hydrogen production from overall water splitting

Mechanistic insights into CO2 conversion chemistry of copper bis-(terpyridine) molecular electrocatalyst using accessible operando spectrochemistry

Highly efficient anion exchange membrane water electrolyzers via chromium-doped amorphous electrocatalysts

Hydrogen Adsorption Structures and Energetics on Iron Surfaces at High Coverage

Hydrogen generation from formic acid decomposition on Ni(211), Pd(211) and Pt(211)

Surface Oxygen Injection in Tin Disulfide Nanosheets for Efficient CO2 Electroreduction to Formate and Syngas

Molybdenum carbide catalysed hydrogen production from formic acid - A density functional theory study

Regulating atomic Fe-Rh site distance for efficient oxygen reduction reaction

Stable surface terminations of orthorhombic Mo2C catalysts and their CO activation mechanisms

Acrolein Hydrogenation on Ni(111)

Adsorption of Nin (n = 1‒4) clusters on perfect and O-defective CuAl2O4 surfaces: A DFT study

Single Mo1(Cr1) Atom on Nitrogen-Doped Graphene Enables Highly Selective Electroreduction of Nitrogen into Ammonia

Improving the Activity of Electrocatalysts toward the Hydrogen Evolution Reaction, the Oxygen Evolution Reaction, and the Oxygen Reduction Reaction via Modification of Metal and Ligand of Conductive Two-Dimensional Metal–Organic Frameworks

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