Systematic Enumeration of Elementary Reaction Steps in Surface Catalysis
Author:
Affiliation:
1. Chair for Theoretical Chemistry and Catalysis Research Center, Technische Universität München, Lichtenbergstr. 4, D-85747 Garching, Germany
Funder
Technische Universität München
International Graduate School for Science and Engineering, Technische Universität München
Publisher
American Chemical Society (ACS)
Subject
General Chemical Engineering,General Chemistry
Link
http://pubs.acs.org/doi/pdf/10.1021/acsomega.8b03200
Reference66 articles.
1. Ab Initio Thermodynamics and First-Principles Microkinetics for Surface Catalysis
2. Density functional theory in surface chemistry and catalysis
3. Structure sensitivity in oxide catalysis: First-principles kinetic Monte Carlo simulations for CO oxidation at RuO2(111)
4. Adlayer inhomogeneity without lateral interactions: Rationalizing correlation effects in CO oxidation at RuO2(110) with first-principles kinetic Monte Carlo
5. Discovery of technical methanation catalysts based on computational screening
Cited by 37 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. Toward an ab Initio Description of Adsorbate Surface Dynamics;The Journal of Physical Chemistry C;2024-07-27
2. Automatic mechanism generation involving kinetics of surface reactions with bidentate adsorbates;Digital Discovery;2024
3. A hybrid off-lattice kinetic Monte Carlo/molecular dynamics method for amorphous thin film growth;Computational Materials Science;2023-10
4. Automated Generation of Microkinetics for Heterogeneously Catalyzed Reactions Considering Correlated Uncertainties**;Angewandte Chemie International Edition;2023-08-22
5. Automatisierte Generierung von Mikrokinetiken für heterogen katalysierte Reaktionen unter Berücksichtigung korrelierter Unsicherheiten**;Angewandte Chemie;2023-08-22
1.学者识别学者识别
2.学术分析学术分析
3.人才评估人才评估
"同舟云学术"是以全球学者为主线,采集、加工和组织学术论文而形成的新型学术文献查询和分析系统,可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容,当前同舟云学术共收录了国内外主流学术期刊6万余种,收集的期刊论文及会议论文总量共计约1.5亿篇,并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询!咨询电话:010-8811{复制后删除}0370
www.globalauthorid.com
TOP
Copyright © 2019-2024 北京同舟云网络信息技术有限公司 京公网安备11010802033243号 京ICP备18003416号-3