Ontology type: schema:ScholarlyArticle
2018-12
AUTHORSY. C. Tong, Q. Y. Wang, Z. Li, L. B. Yu
ABSTRACTPtCu-embedded graphene (PtCu/graphene) is one of the high-efficiency catalysts in catalytic oxidation of CO. In this paper, CO catalytic oxidation on PtCu/graphene is studied by density functional theory. According to the calculation, the coadsorption configuration is more stable than the configuration of O2 or CO adsorption on PtCu/graphene. Thus, the reaction mechanism of catalytic CO oxidation is the LH mechanism, which proceeds via two steps with barrier energies of 0.21 eV and 0.52 eV, respectively. Compared with pure Pt/graphene and Cu/graphene, Pt mixed in Cu can lower the barrier energy, improving the catalytic activity. Therefore, the research of PtCu/graphene can provide a certain reference value and guidance for the study of another similar catalytic CO oxidation. More... »
PAGES1776-1783
http://scigraph.springernature.com/pub.10.1134/s0022476618080036
DOIhttp://dx.doi.org/10.1134/s0022476618080036
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