Structure sensitivity in oxide catalysis: First-principles kinetic Monte Carlo simulations for CO oxidation at RuO2(111)-Reference-Cited by-同舟云学术

Structure sensitivity in oxide catalysis: First-principles kinetic Monte Carlo simulations for CO oxidation at RuO2(111)

Published:2015-11-28 Issue:20 Volume:143 Page:204702
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Wang Tongyu¹^ORCID,Reuter Karsten¹²

Affiliation:

1. Chair for Theoretical Chemistry and Catalysis Research Center, Technische Universität München, Lichtenbergstr. 4, D-85747 Garching, Germany

2. SUNCAT Center for Interface Science and Catalysis, SLAC National Accelerator Laboratory and Stanford University, 443 Via Ortega, Stanford, California 94035-4300, USA

Funder

China Scholarship Council (CSC)

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.4936354

Reference33 articles.

1. Catalysis by Supported Metals

2. Structure sensitivity of catalytic reactions

3. Single Crystal Surfaces

4. First-principles kinetic modeling in heterogeneous catalysis: an industrial perspective on best-practice, gaps and needs

5. Catalytic CO oxidation over ruthenium––bridging the pressure gap

Cited by 9 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Kinetic Monte Carlo simulations for heterogeneous catalysis: Fundamentals, current status, and challenges;The Journal of Chemical Physics;2022-03-28

2. Consequences of adsorbate-adsorbate interactions for apparent kinetics of surface catalytic reactions;Journal of Catalysis;2022-01

3. Operando identification of site-dependent water oxidation activity on ruthenium dioxide single-crystal surfaces;Nature Catalysis;2020-05-11

4. Ab Initio Thermodynamics Insight into the Structural Evolution of Working IrO2 Catalysts in Proton-Exchange Membrane Electrolyzers;ACS Catalysis;2019-04-23

5. Systematic Enumeration of Elementary Reaction Steps in Surface Catalysis;ACS Omega;2019-02-14