Controlling the Adsorption of Aromatic Compounds on Pt(111) with Oxygenate Substituents: From DFT to Simple Molecular Descriptors
Author:
Affiliation:
1. Univ Lyon, Ens de Lyon, CNRS, Université Lyon 1, Laboratoire de Chimie UMR 5182, F-69342, Lyon, France
2. Centre for Catalysis Research and Innovation, Department of Chemistry, University of Ottawa, Ottawa, Ontario, Canada
Funder
International Associated Laboratory - Fundamental catalysis for green chemistry
Publisher
American Chemical Society (ACS)
Subject
General Materials Science,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.6b00612
Reference43 articles.
1. Understanding corrosion inhibition with van der Waals DFT methods: the case of benzotriazole
2. Insights into surface–adsorbate interactions in corrosion inhibition processes at the molecular level
3. Density functional theory (DFT) as a powerful tool for designing new organic corrosion inhibitors. Part 1: An overview
4. Simulation of phenol formation from benzene with a Pd membrane reactor: ab initio periodic density functional study
5. A One-Step Conversion of Benzene to Phenol with a Palladium Membrane
Cited by 24 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. Chemical Softness in Aromatic Adsorption: Benzene, Nitrobenzene and Anisole on Pt{111};The Journal of Physical Chemistry A;2024-07-22
2. Selection of competitive adsorption additives to relieve product inhibition of maleic acid hydrogenation in proton exchange membrane flow cell reactor: A molecular dynamics simulation;International Journal of Hydrogen Energy;2022-09
3. In-depth theoretical understanding of the chemical interaction of aromatic compounds with a gold nanoparticle;Physical Chemistry Chemical Physics;2022
4. One Decade of Computational Studies on Single-Atom Alloys: Is In Silico Design within Reach?;Accounts of Chemical Research;2021-12-14
5. Ternary Alloys Enable Efficient Production of Methoxylated Chemicals via Selective Electrocatalytic Hydrogenation of Lignin Monomers;Journal of the American Chemical Society;2021-10-07
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