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Highly Selective Production of Ethylene by the Electroreduction of Carbon Monoxide

Angewandte Chemie International Edition, 2020-01, Vol.59 (1), p.154-160

International ed. in English, 2020

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Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces

ChemCatChem, 2011-07, Vol.3 (7), p.1159-1165

2011

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Interface-Confined Ferrous Centers for Catalytic Oxidation

Science (American Association for the Advancement of Science), 2010-05, Vol.328 (5982), p.1141-1144

2010

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Synergistic effect and coordination environment tuned water-gas shift reaction on MoS2 catalyst

Catalysis science & technology, 2024-05, Vol.14 (9), p.2608-2618

2024

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Crystallographic Dependence of CO Activation on Cobalt Catalysts: HCP versus FCC

Journal of the American Chemical Society, 2013-11, Vol.135 (44), p.16284-16287

2013

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Theoretical Insights and the Corresponding Construction of Supported Metal Catalysts for Highly Selective CO2 to CO Conversion

ACS catalysis, 2017-07, Vol.7 (7), p.4613-4620

2017

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A structure-sensitive descriptor for the design of active sites on MoS2 catalysts

Catalysis science & technology, 2023-09, Vol.13 (18), p.5290-5300

2023

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Room-temperature electrochemical water-gas shift reaction for high purity hydrogen production

Nature communications, 2019-01, Vol.10 (1), p.86-86, Article 86

2019

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DFT study of the stability of oxygen vacancy in cubic ABO3 perovskites

Journal of materials science, 2015-02, Vol.50 (4), p.1701-1709

2015

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Copper-catalyzed chemoselective C-H functionalization of quinoxalin-2(1)-ones with hexafluoroisopropanol

Chemical communications (Cambridge, England), 2020-10, Vol.56 (84), p.1285-1288

2020

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Trends in C-O and N-O bond scission on rutile oxides described using oxygen vacancy formation energies

Chemical science (Cambridge), 2020-04, Vol.11 (16), p.4119-4124

2020

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High Alcohols Synthesis via Fischer–Tropsch Reaction at Cobalt Metal/Carbide Interface

ACS catalysis, 2015-06, Vol.5 (6), p.3620-3624

2015

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Tailoring the Activity for Oxygen Evolution Electrocatalysis on Rutile TiO2(110) by Transition-Metal Substitution

ChemCatChem, 2011-10, Vol.3 (10), p.1607-1611

2011

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Carbon Chain Growth by Formyl Insertion on Rhodium and Cobalt Catalysts in Syngas Conversion

Angewandte Chemie (International ed.), 2011-05, Vol.50 (23), p.5335-5338

International ed. in English, 2011

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Photochemical construction of the ZnCdS/PO/FeCoNiPi-MnO composite for efficient tandem application of photocatalytic partial water splitting and overall water splitting

Journal of materials chemistry. A, Materials for energy and sustainability, 2022-08, Vol.1 (3), p.1629-1636

2022

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Interplay Between Site Activity and Density of BCC Iron for Ammonia Synthesis Based on First‐Principles Theory

ChemCatChem, 2019-04, Vol.11 (7), p.1928-1934

2019

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Application of coverage-dependent micro-kinetic study to investigate direct H2O2 synthesis mechanism on Pd(111) surface

Theoretical chemistry accounts, 2020-11, Vol.139 (11), Article 170

2020

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The Effect of Water on the CO Oxidation on Ag(111) and Au(111) Surfaces: A First-Principle Study

Journal of physical chemistry. C, 2008-11, Vol.112 (44), p.17303-17310

2008

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Platinum-Modulated Cobalt Nanocatalysts for Low-Temperature Aqueous-Phase Fischer–Tropsch Synthesis

Journal of the American Chemical Society, 2013-03, Vol.135 (10), p.4149-4158

2013

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Structures and stability of adsorbed methanol on TiO2(110) surface studied by ab initio thermodynamics and kinetic Monte Carlo simulation

Theoretical chemistry accounts, 2018-10, Vol.137 (10), p.1-8, Article 128

2018

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Force reversed method for locating transition states

Theoretical chemistry accounts, 2012-02, Vol.131 (2), Article 1118

2012

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First-principles and microkinetic simulation studies of CO2 hydrogenation mechanism and active site on MoS2 catalyst

Applied surface science, 2023-10, Vol.635, p.157721, Article 157721

2023

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Identification of Cu/Sc and Cu/Ti subsurface alloys for highly efficient CO electroreduction to C2 products

Applied surface science, 2023-08, Vol.627, p.157314, Article 157314

2023

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CO activation and methanation mechanism on hexagonal close-packed Co catalysts: effect of functionals, carbon deposition and surface structure

Catalysis science & technology, 2020-05, Vol.1 (1), p.3387-3398

2020

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Facet-Dependent of Catalytic Selectivity: The Case of H2O2 Direct Synthesis on Pd Surfaces

Journal of physical chemistry. C, 2019-10, Vol.123 (43), p.26324-26337

2019

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Highly Selective Production of Ethylene by the Electroreduction of Carbon Monoxide

Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces

Interface-Confined Ferrous Centers for Catalytic Oxidation

Synergistic effect and coordination environment tuned water-gas shift reaction on MoS2 catalyst

Crystallographic Dependence of CO Activation on Cobalt Catalysts: HCP versus FCC

Theoretical Insights and the Corresponding Construction of Supported Metal Catalysts for Highly Selective CO2 to CO Conversion

A structure-sensitive descriptor for the design of active sites on MoS2 catalysts

Room-temperature electrochemical water-gas shift reaction for high purity hydrogen production

DFT study of the stability of oxygen vacancy in cubic ABO3 perovskites

Copper-catalyzed chemoselective C-H functionalization of quinoxalin-2(1)-ones with hexafluoroisopropanol

Trends in C-O and N-O bond scission on rutile oxides described using oxygen vacancy formation energies

High Alcohols Synthesis via Fischer–Tropsch Reaction at Cobalt Metal/Carbide Interface

Tailoring the Activity for Oxygen Evolution Electrocatalysis on Rutile TiO2(110) by Transition-Metal Substitution

Carbon Chain Growth by Formyl Insertion on Rhodium and Cobalt Catalysts in Syngas Conversion

Photochemical construction of the ZnCdS/PO/FeCoNiPi-MnO composite for efficient tandem application of photocatalytic partial water splitting and overall water splitting

Interplay Between Site Activity and Density of BCC Iron for Ammonia Synthesis Based on First‐Principles Theory

Application of coverage-dependent micro-kinetic study to investigate direct H2O2 synthesis mechanism on Pd(111) surface

The Effect of Water on the CO Oxidation on Ag(111) and Au(111) Surfaces: A First-Principle Study

Platinum-Modulated Cobalt Nanocatalysts for Low-Temperature Aqueous-Phase Fischer–Tropsch Synthesis

Structures and stability of adsorbed methanol on TiO2(110) surface studied by ab initio thermodynamics and kinetic Monte Carlo simulation

Force reversed method for locating transition states

First-principles and microkinetic simulation studies of CO2 hydrogenation mechanism and active site on MoS2 catalyst

Identification of Cu/Sc and Cu/Ti subsurface alloys for highly efficient CO electroreduction to C2 products

CO activation and methanation mechanism on hexagonal close-packed Co catalysts: effect of functionals, carbon deposition and surface structure

Facet-Dependent of Catalytic Selectivity: The Case of H2O2 Direct Synthesis on Pd Surfaces

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