Dispersion corrected DFT calculations for the adsorption of N2O on MgO
Author:
Publisher
Elsevier BV
Subject
Materials Chemistry,Surfaces, Coatings and Films,Surfaces and Interfaces,Condensed Matter Physics
Reference35 articles.
1. Semiempirical GGA-type density functional constructed with a long-range dispersion correction
2. A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
3. Role of dispersive interactions in the CO adsorption on MgO(001): periodic B3LYP calculations augmented with an empirical dispersion term
4. Accurate adsorption energies of small molecules on oxide surfaces: CO–MgO(001)
5. Silica Surface Features and Their Role in the Adsorption of Biomolecules: Computational Modeling and Experiments
Cited by 12 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. DFT Study of Hydrogen Evolution Reactions of Water Molecule with In7 and In6Al Clusters;Journal of Cluster Science;2024-02-11
2. DFT Study of Hydrogen Evolution Reactions of Water Molecule with In7 and In6Al Clusters;2023-05-09
3. DFT outcome for comparative analysis of Be12O12, Mg12O12 and Ca12O12 nanocages toward sensing of N2O, NO2, NO, H2S, SO2 and SO3 gases;Computational and Theoretical Chemistry;2022-05
4. Coverage-dependent adsorption of nitrous oxide (N2O) on perfect and defective Cu(0 0 1) surfaces: A DFT investigation with and without van der Walls forces;Computational and Theoretical Chemistry;2021-11
5. Binding and stability of MgO monomers on anatase TiO2(101);The Journal of Chemical Physics;2021-05-28
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