منابع مشابه
Energetics of hydrogen coverage on group VIII transition metal surfaces and a kinetic model for adsorption/desorption.
We determined the binding energy of hydrogen to the closest packed surface for all nine group VIII transition metals as a function of surface coverage using quantum mechanics (density functional theory with the generalized gradient approximation) with periodic boundary conditions. The study provides a systematic comparison of the most stable surfaces of the nine group VIII transition metals, le...
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ژورنال
عنوان ژورنال: Physical Review E
سال: 2019
ISSN: 2470-0045,2470-0053
DOI: 10.1103/physreve.99.052137