2026-03-09T12:52:46Z https://kanazawa-u.repo.nii.ac.jp/oai

oai:kanazawa-u.repo.nii.ac.jp:00010419 2024-06-25T05:46:00Z 4162:4169:4188

C1s CEBEs of Hydrocarbons on Elemental Oxides. II. The Adsorption Type of CH4 on the MgO Cluster 遠藤, 一央 Otsuka, T. Motozaki, W. 20293334 Endo, Kazunaka Bureau, C. Chong, D.P. Copyright (c) 2003 一般社団法人　表面分析研究会 Experimental C1s core-electron binding energy (CEBE) of hydrocarbons, alcohols or organic acids, which contain CnH2n+1-functional group, on MgO is determined as 286.5 eV. The value is larger than 285.0 eV as the standard value relative to the C1s CEBE of polyethylene. We discuss the physisorption type of CH4 on the MgO clusters from theoretical viewpoints of both ab initio molecular orbital (MO) and density-functional theory (DFT) calculations. We try to indicate whether the organic molecules physisorb on MgO, or not, using accurate computational results of CEBE by the DFT calculation. 金沢大学ナノマテリアル研究所 / 金沢大学理工研究域数物科学系 / 金沢大学大学院自然科学研究科物質情報解析 表面分析研究会 = Surface Analysis Society of Japan 2003-07-31 2017-10-03 eng journal article VoR https://doi.org/10.24517/00010406 http://hdl.handle.net/2297/27769 https://kanazawa-u.repo.nii.ac.jp/records/10419 10.24517/00010406 10.1384/jsa.9.510 https://japanlinkcenter.org/JST.JSTAGE/jsa/9.510 http://www.sasj.jp/jpn-index.html AA12022731 1347-8400 Journal of Surface Analysis 9 4 510 513 https://kanazawa-u.repo.nii.ac.jp/record/10419/files/SC-PR-ENDO-K-9_510[1].pdf application/pdf 195.6 kB 2017-10-03