Copper/Nickel/Manganese Doped Cerium Oxides Based Catalysts for Hydrogenation of CO2
نویسندگان
چکیده
منابع مشابه
B3LYP calculations of cerium oxides.
In this paper we evaluate the performance of density functional theory with the B3LYP functional for calculations on ceria (CeO(2)) and cerium sesquioxide (Ce(2)O(3)). We demonstrate that B3LYP is able to describe CeO(2) and Ce(2)O(3) reasonably well. When compared to other functionals, B3LYP performs slightly better than the hybrid functional PBE0 for the electronic properties but slightly wor...
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ژورنال
عنوان ژورنال: Bulletin of the Korean Chemical Society
سال: 2014
ISSN: 0253-2964
DOI: 10.5012/bkcs.2014.35.8.2349