Design of Pd-Based Bimetallic Catalysts for ORR: A DFT Calculation Study
نویسندگان
چکیده
منابع مشابه
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where EPd/et, EPd, and Eet are the total energies of the Pd(110)–c(2×2)-ethylene adsorption system, the bare Pd slab and the free ethylene molecule, respectively. The supercell for the calculation had dimensions of a = b = 4.780 Å, c = 19.319 Å, α = β = 90◦, and γ = 70.53◦, and consisted of seven layers of Pd atoms and a vacuum region with a thickFig. 1. Stable adsorption states of c(2×2)-C2H4 ...
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ژورنال
عنوان ژورنال: Journal of Chemistry
سال: 2015
ISSN: 2090-9063,2090-9071
DOI: 10.1155/2015/932616