Physisorption energy of H and H2 on clean Pt(111) as a useful surface energy reference in Quantum Monte Carlo calculation
Author:
Publisher
Elsevier
Reference18 articles.
1. Quantum Monte Carlo for Large Chemical Systems: Implementing Efficient Strategies for Petascale Platforms and Beyond;Scemama;J. Comput. Chem.,2013
2. A New Method of Calculating Interactions Between Adsorbates and Metal Oxide Surfaces: Application to the Study of CO2 Insertion in Hydroxyl or Methoxy Groups on Al2O3 and TiO2;Hoggan;J. Mol. Struct.,1994
3. Quantum Monte Carlo Activation Barrier for Hydrogen Dissociation on Copper to Unprecedented Accuracy;Hoggan;ArXiv Mat. Cond,2015
4. Quantum Monte Carlo calculations on a Benchmark Molecule—Metal Surface Reaction: H2 + Cu(111);Doblhoff-Dier;J. Chem. Theory Comput.,2017
5. Growth Instabilities and Adsorbed Impurities: A Case Study;Ben Hadj Hamouda;Phys. Rev. B,2008
Cited by 3 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. Quantum Monte Carlo method for metal-film catalysis: Water addition to CO adsorbed on Pt/Al(111), efficient hydrogen production;Advances in Quantum Chemistry;2023
2. Quantum Monte Carlo with ground-state input to investigate platinum-doped aluminum catalyst: H2 production from adsorbed CO;New Electron Correlation Methods and their Applications, and Use of Atomic Orbitals with Exponential Asymptotes;2021
3. Quantum Monte Carlo Approach for Determining the Activation Barrier of Water Addition to Carbon Monoxide Adsorbed on Pt(111) within 1 kJ/mol;The Journal of Physical Chemistry C;2020-11-15
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