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Mechanism and Tafel Lines of Electro-Oxidation of Water to Oxygen on RuO2(110)

Journal of the American Chemical Society, 2010-12, Vol.132 (51), p.18214-18222

2010

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Revealing the Size Effect of Platinum Cocatalyst for Photocatalytic Hydrogen Evolution on TiO2 Support: A DFT Study

ACS catalysis, 2018-08, Vol.8 (8), p.7270-7278

2018

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Origin and Activity of Gold Nanoparticles as Aerobic Oxidation Catalysts in Aqueous Solution

Journal of the American Chemical Society, 2011-06, Vol.133 (25), p.9938-9947

2011

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Large-Scale Atomic Simulation via Machine Learning Potentials Constructed by Global Potential Energy Surface Exploration

Accounts of chemical research, 2020-10, Vol.53 (10), p.2119-2129

2020

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Glucose to 5‑Hydroxymethylfurfural: Origin of Site-Selectivity Resolved by Machine Learning Based Reaction Sampling

Journal of the American Chemical Society, 2019-12, Vol.141 (51), p.20525-20536

2019

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Particle Size, Shape and Activity for Photocatalysis on Titania Anatase Nanoparticles in Aqueous Surroundings

Journal of the American Chemical Society, 2011-10, Vol.133 (39), p.15743-15752

2011

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Reaction Network of Layer-to-Tunnel Transition of MnO2

Journal of the American Chemical Society, 2016-04, Vol.138 (16), p.5371-5379

2016

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Oxygen Evolution Activity on NiOOH Catalysts: Four-Coordinated Ni Cation as the Active Site and the Hydroperoxide Mechanism

ACS catalysis, 2020-02, Vol.10 (4), p.2581-2590

2020

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Comprehensive Mechanism and Structure-Sensitivity of Ethanol Oxidation on Platinum: New Transition-State Searching Method for Resolving the Complex Reaction Network

Journal of the American Chemical Society, 2008-08, Vol.130 (33), p.10996-11004

2008

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Mechanism and Activity of Photocatalytic Oxygen Evolution on Titania Anatase in Aqueous Surroundings

Journal of the American Chemical Society, 2010-09, Vol.132 (37), p.13008-13015

2010

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Steering the Glycerol Electro‐Reforming Selectivity via Cation–Intermediate Interactions

Angewandte Chemie (International ed.), 2022-03, Vol.61 (11), p.e202113362-n/a

International ed. in English, 2022

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Accelerated active phase transformation of NiO powered by Pt single atoms for enhanced oxygen evolution reaction

Chemical science (Cambridge), 2018, Vol.9 (33), p.6803-6812

2018

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Nature of Rutile Nuclei in Anatase-to-Rutile Phase Transition

Journal of the American Chemical Society, 2015-09, Vol.137 (35), p.11532-11539

2015

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Proton-Promoted Electron Transfer in Photocatalysis: Key Step for Photocatalytic Hydrogen Evolution on Metal/Titania Composites

ACS catalysis, 2017-04, Vol.7 (4), p.2744-2752

2017

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Restructuring and Hydrogen Evolution on Pt Nanoparticle

Chemical science (Cambridge), 2015-01, Vol.6 (2), p.1485-1490

2015

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Three-phase junction for modulating electron-hole migration in anatase-rutile photocatalysts

Chemical science (Cambridge), 2015-06, Vol.6 (6), p.3483-3494

2015

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General Rules for Predicting Where a Catalytic Reaction Should Occur on Metal Surfaces: A Density Functional Theory Study of C−H and C−O Bond Breaking/Making on Flat, Stepped, and Kinked Metal Surfaces

Journal of the American Chemical Society, 2003-02, Vol.125 (7), p.1958-1967

2003

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Catalytic Role of Gold in Gold-Based Catalysts: A Density Functional Theory Study on the CO Oxidation on Gold

Journal of the American Chemical Society, 2002-12, Vol.124 (49), p.14770-14779

2002

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A Systematic Study of CO Oxidation on Metals and Metal Oxides: Density Functional Theory Calculations

Journal of the American Chemical Society, 2004-01, Vol.126 (1), p.8-9

2004

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Catalytic hydrogenation of benzene to cyclohexene on Ru(0 0 0 1) from density functional theory investigations

Catalysis today, 2011-02, Vol.160 (1), p.234-241

2011

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A Density Functional Theory Study on the Active Center of Fe-Only Hydrogenase: Characterization and Electronic Structure of the Redox States

Journal of the American Chemical Society, 2002-05, Vol.124 (18), p.5175-5182

2002

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Origin of Oxide Sensitivity in Gold-Based Catalysts: A First Principle Study of CO Oxidation over Au Supported on Monoclinic and Tetragonal ZrO2

Journal of the American Chemical Society, 2007-03, Vol.129 (9), p.2642-2647

2007

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Synthesis of 4′-Thiosemicarbazonegriseofulvin and Its Effects on the Control of Enzymatic Browning and Postharvest Disease of Fruits

Journal of agricultural and food chemistry, 2012-10, Vol.60 (43), p.10784-10788

2012

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Antityrosinase and Antimicrobial Activities of trans-Cinnamaldehyde Thiosemicarbazone

Journal of agricultural and food chemistry, 2009-06, Vol.57 (12), p.5518-5523

2009

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Mechanism and Tafel Lines of Electro-Oxidation of Water to Oxygen on RuO2(110)

Revealing the Size Effect of Platinum Cocatalyst for Photocatalytic Hydrogen Evolution on TiO2 Support: A DFT Study

Origin and Activity of Gold Nanoparticles as Aerobic Oxidation Catalysts in Aqueous Solution

Large-Scale Atomic Simulation via Machine Learning Potentials Constructed by Global Potential Energy Surface Exploration

Glucose to 5‑Hydroxymethylfurfural: Origin of Site-Selectivity Resolved by Machine Learning Based Reaction Sampling

Particle Size, Shape and Activity for Photocatalysis on Titania Anatase Nanoparticles in Aqueous Surroundings

Reaction Network of Layer-to-Tunnel Transition of MnO2

Oxygen Evolution Activity on NiOOH Catalysts: Four-Coordinated Ni Cation as the Active Site and the Hydroperoxide Mechanism

Comprehensive Mechanism and Structure-Sensitivity of Ethanol Oxidation on Platinum: New Transition-State Searching Method for Resolving the Complex Reaction Network

Mechanism and Activity of Photocatalytic Oxygen Evolution on Titania Anatase in Aqueous Surroundings

Steering the Glycerol Electro‐Reforming Selectivity via Cation–Intermediate Interactions

Accelerated active phase transformation of NiO powered by Pt single atoms for enhanced oxygen evolution reaction

Nature of Rutile Nuclei in Anatase-to-Rutile Phase Transition

Proton-Promoted Electron Transfer in Photocatalysis: Key Step for Photocatalytic Hydrogen Evolution on Metal/Titania Composites

Restructuring and Hydrogen Evolution on Pt Nanoparticle

Three-phase junction for modulating electron-hole migration in anatase-rutile photocatalysts

General Rules for Predicting Where a Catalytic Reaction Should Occur on Metal Surfaces: A Density Functional Theory Study of C−H and C−O Bond Breaking/Making on Flat, Stepped, and Kinked Metal Surfaces

Catalytic Role of Gold in Gold-Based Catalysts: A Density Functional Theory Study on the CO Oxidation on Gold

A Systematic Study of CO Oxidation on Metals and Metal Oxides: Density Functional Theory Calculations

Catalytic hydrogenation of benzene to cyclohexene on Ru(0 0 0 1) from density functional theory investigations

A Density Functional Theory Study on the Active Center of Fe-Only Hydrogenase: Characterization and Electronic Structure of the Redox States

Origin of Oxide Sensitivity in Gold-Based Catalysts: A First Principle Study of CO Oxidation over Au Supported on Monoclinic and Tetragonal ZrO2

Synthesis of 4′-Thiosemicarbazonegriseofulvin and Its Effects on the Control of Enzymatic Browning and Postharvest Disease of Fruits

Antityrosinase and Antimicrobial Activities of trans-Cinnamaldehyde Thiosemicarbazone

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