@article{oai:kanazawa-u.repo.nii.ac.jp:00010419, author = {遠藤, 一央 and Otsuka, T. and Motozaki, W. and Endo, Kazunaka and Bureau, C. and Chong, D.P.}, issue = {4}, journal = {Journal of Surface Analysis}, month = {Jul}, note = {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}, pages = {510--513}, title = {C1s CEBEs of Hydrocarbons on Elemental Oxides. II. The Adsorption Type of CH4 on the MgO Cluster}, volume = {9}, year = {2003} }