Atomic oxygen adsorption on Au(1 0 0) and Au(1 1 1): Effects of coverage

Autor:	K. Okazaki-Maeda, Masanori Kohyama
Rok vydání:	2010
Předmět:	Adsorption Chemical physics Chemistry Atomic oxygen General Physics and Astronomy Molecule chemistry.chemical_element Physical and Theoretical Chemistry Orientation (graph theory) Atomic physics Oxygen
Zdroj:	Chemical Physics Letters. 492:266-271
ISSN:	0009-2614
Popis:	Energies and configurations of the oxygen-atom adsorption on gold surfaces have been examined by using first-principles calculations. For the low coverage ( E ad O , for Au(1 1 1) is larger than that for Au(1 0 0), and the atomic adsorption on both the surfaces is stable against a free oxygen molecule. As the coverage increases, E ad O decreases and E ad O for Au(1 1 1) becomes smaller than that for Au(1 0 0), and finally the atomic adsorption on these surfaces becomes unstable against a free oxygen molecule. The dependence on the coverage and the surface orientation has been analyzed by the O–Au and O–O interactions in comparison with experiments.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::60c4a9dd58d4202946baf796570d9506 https://doi.org/10.1016/j.cplett.2010.04.058 Zobrazit plný text záznamu Full Text from ScienceDirect