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Enhancing CO2 electroreduction performance through transition metal atom doping and strain engineering in γ-GeSe: a first-principles study

Physical chemistry chemical physics : PCCP, 2024-01, Vol.26 (4), p.3560-3568

2024

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CO2 electroreduction performance of PtS2 supported single transition metal atoms: a theoretical study

Physical chemistry chemical physics : PCCP, 2023-02, Vol.25 (6), p.4773-4779

2023

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Adsorption and activation of molecular oxygen over atomic copper(I/II) site on ceria

Nature communications, 2020-08, Vol.11 (1), p.4008-4008, Article 4008

2020

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On single-electron magnesium bonding formation and the effect of methyl substitution

RSC advances, 2020-09, Vol.1 (57), p.34413-3442

2020

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Computational screening of single-atom catalysts for direct electrochemical NH3 synthesis from NO on defective boron phosphide monolayer

Applied surface science, 2023-02, Vol.611, p.155764, Article 155764

2023

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Computational evaluation of 2D metal-organic frameworks with TMX4-centers (X = O, S and Se) for CO2 electroreduction

International journal of hydrogen energy, 2023-01, Vol.48 (9), p.3486-3494

2023

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A feasible strategy for designing cytochrome P450-mimic sandwich-like single-atom nanozymes toward electrochemical CO2 conversion

Journal of colloid and interface science, 2024-05, Vol.661, p.482-492

2024

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Formic acid dehydrogenation over Pd single atom or cluster supported on nitrogen-doped graphene: A DFT study

Applied surface science, 2022-12, Vol.604, p.154510, Article 154510

2022

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Microporosity as a new property control factor in graphene-like 2D allotropes

Journal of materials chemistry. A, Materials for energy and sustainability, 2018, Vol.6 (22), p.10348-10353

2018

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DFT study on the mechanism of bimetallic Pd-Zn-catalyzed cycloaddition of alkynyl aryl ethers with internal alkynes

Dalton transactions : an international journal of inorganic chemistry, 2020-03, Vol.49 (9), p.2914-2923

2020

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Bubble-wrap carbon: an integration of graphene and fullerenes

Nanoscale, 2018-01, Vol.10 (24), p.11328-11334

2018

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Theoretical study on the reaction mechanism of “ligandless” Ni-catalyzed hydrodesulfurization of aryl sulfide

RSC advances, 2017, Vol.7 (81), p.51475-51484

2017

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Thrombotic thrombocytopenic purpura with neurological impairment: A Review

Medicine (Baltimore), 2022-12, Vol.101 (49), p.e31851-e31851

2022

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Ni anchored C2N monolayers as low-cost and efficient catalysts for hydrogen production from formic acid

Journal of power sources, 2019-02, Vol.413, p.399-407

2019

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First-Principles Study of NO Reduction by CO on Cu2O(110) and Pd1/Cu2O(110) Surfaces

Journal of physical chemistry. C, 2021-09, Vol.125 (37), p.20309-20319

2021

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Insights into the mechanism of formic acid dehydrogenation on Pd-Co@Pd core-shell catalysts: A theoretical study

Applied surface science, 2020-03, Vol.505, p.144532, Article 144532

2020

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Rapid Thalidomide Racemization Is Related to Proton Tunneling Reactions via Water Bridges

The journal of physical chemistry letters, 2023-11, Vol.14 (47), p.10592-10598

2023

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C3N-supported ⅢA group metal single-atom catalysts with different coordination microenvironments: Electrocatalytic NO reduction to ammonia

Applied surface science, 2024-03, Vol.649, p.159130, Article 159130

2024

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Insight into the Reaction Mechanism of the Reduction of NO by H2 on the Singly Dispersed Bimetallic Pt(Rh)Co4/Co3O4 Catalysts: A First-Principles Study

Journal of physical chemistry. C, 2020-05, Vol.124 (18), p.9908-9916

2020

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Fluorescence polarization assay improves the rapid detection of human brucellosis in China

Infectious diseases of poverty, 2021-03, Vol.10 (1), p.46-46, Article 46

2021

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Hydrolysis of Sulfur Dioxide in Small Clusters of Sulfuric Acid: Mechanistic and Kinetic Study

Environmental science & technology, 2015-11, Vol.49 (22), p.13112-13120

2015

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DFT study on the mechanism of palladium(II)-catalyzed reaction of allyl-substituted 3,4-dienoate, alkyne and carbon monoxide

Molecular catalysis, 2020-08, Vol.492, p.111028, Article 111028

2020

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Honeycomb Boron Allotropes with Dirac Cones: A True Analogue to Graphene

The journal of physical chemistry letters, 2017-06, Vol.8 (12), p.2647-2653

2017

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Catalytic Activity of the Transition-Metal Atom Doped Platinum Surface for NO Reduction by CO

Journal of physical chemistry. C, 2021-05, Vol.125 (18), p.9703-9714

2021

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Theoretical study on the reaction of (Z)-CF3CHCHCF3 with OH radicals

International journal of quantum chemistry, 2014-02, Vol.114 (3), p.176-182

2014

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Enhancing CO2 electroreduction performance through transition metal atom doping and strain engineering in γ-GeSe: a first-principles study

CO2 electroreduction performance of PtS2 supported single transition metal atoms: a theoretical study

Adsorption and activation of molecular oxygen over atomic copper(I/II) site on ceria

On single-electron magnesium bonding formation and the effect of methyl substitution

Computational screening of single-atom catalysts for direct electrochemical NH3 synthesis from NO on defective boron phosphide monolayer

Computational evaluation of 2D metal-organic frameworks with TMX4-centers (X = O, S and Se) for CO2 electroreduction

A feasible strategy for designing cytochrome P450-mimic sandwich-like single-atom nanozymes toward electrochemical CO2 conversion

Formic acid dehydrogenation over Pd single atom or cluster supported on nitrogen-doped graphene: A DFT study

Microporosity as a new property control factor in graphene-like 2D allotropes

DFT study on the mechanism of bimetallic Pd-Zn-catalyzed cycloaddition of alkynyl aryl ethers with internal alkynes

Bubble-wrap carbon: an integration of graphene and fullerenes

Theoretical study on the reaction mechanism of “ligandless” Ni-catalyzed hydrodesulfurization of aryl sulfide

Thrombotic thrombocytopenic purpura with neurological impairment: A Review

Ni anchored C2N monolayers as low-cost and efficient catalysts for hydrogen production from formic acid

First-Principles Study of NO Reduction by CO on Cu2O(110) and Pd1/Cu2O(110) Surfaces

Insights into the mechanism of formic acid dehydrogenation on Pd-Co@Pd core-shell catalysts: A theoretical study

Rapid Thalidomide Racemization Is Related to Proton Tunneling Reactions via Water Bridges

C3N-supported ⅢA group metal single-atom catalysts with different coordination microenvironments: Electrocatalytic NO reduction to ammonia

Insight into the Reaction Mechanism of the Reduction of NO by H2 on the Singly Dispersed Bimetallic Pt(Rh)Co4/Co3O4 Catalysts: A First-Principles Study

Fluorescence polarization assay improves the rapid detection of human brucellosis in China

Hydrolysis of Sulfur Dioxide in Small Clusters of Sulfuric Acid: Mechanistic and Kinetic Study

DFT study on the mechanism of palladium(II)-catalyzed reaction of allyl-substituted 3,4-dienoate, alkyne and carbon monoxide

Honeycomb Boron Allotropes with Dirac Cones: A True Analogue to Graphene

Catalytic Activity of the Transition-Metal Atom Doped Platinum Surface for NO Reduction by CO

Theoretical study on the reaction of (Z)-CF3CHCHCF3 with OH radicals

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