DFT+U study on the oxygen adsorption and dissociation on CeO2-supported platinum cluster
نویسندگان
چکیده
منابع مشابه
A DFT study of oxygen dissociation on platinum based nanoparticles.
Density functional theory calculations are performed on 38 and 79 metal atom truncated octahedron clusters to study oxygen dissociation as a model for the initial stage of the oxygen reduction reaction. Pure platinum and alloyed platinum-titanium core-shell systems are investigated. It is found that barrierless oxygen dissociation occurs on the (111) facet of the pure platinum clusters. A barri...
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ژورنال
عنوان ژورنال: Applied Surface Science
سال: 2014
ISSN: 0169-4332
DOI: 10.1016/j.apsusc.2013.10.015