出版社：The International Institute for Science, Technology and Education (IISTE)
摘要：The adsorption properties and characteristics of CO on Cu, Ag and Au atoms deposited on various sites of the alkaline earth oxide MgO and BaO. The three members of morphological irregularities, terrace, edge, and oxygen terminated corner of MgO and BaO (001) surface have been studied by means of density functional calculations and embedded cluster model. The examined clusters were embedded in the simulated Coulomb fields that closely approximate the Madelung fields of the host surfaces. The adsorption properties of CO have been analyzed with reference to the nature of the oxide support, pairwise and non-pairwise .......... Please read the full paper.
