Adsorption and dissociation of O2 on Ir(111)
نویسندگان
چکیده
منابع مشابه
Adsorption and dissociation of O2 on Ir„111..
The adsorption and dissociation of dioxygen on the Ir~111! surface have been studied using periodic self-consistent density functional theory ~DFT-GGA! calculations. Three di-s-type chemisorbed molecular precursors are identified: One is located over bridge sites and has a binding energy of 21.3 eV and a bond length of 1.4 Å; the other two are located over threefold hollows and have similar bin...
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X. L. Fan,*,†,‡ W. M. Lau,‡,§,# and Z. F. Liu|,× School of Material Science and Engineering, Northwestern Polytechnical UniVersity, 127 YouYi Road West, Xian, 710072, Shaanxi, China, Department of Physics, The Chinese UniVersity of Hong Kong, Shatin, Hong Kong, China, Surface Science Western, UniVersity of Western Ontario, London, Ontario, N6A 5B7, Canada, and Department of Chemistry and Centre...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2002
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.1479716