Selective hydrogenation of acetylene on SiO2-supported Ni-Ga alloy and intermetallic compound
نویسندگان
چکیده
منابع مشابه
The reaction mechanism and selectivity of acetylene hydrogenation over Ni-Ga intermetallic compound catalysts: a density functional theory study.
Intermetallic compounds (IMCs) have shown excellent catalytic performance toward the selective hydrogenation of acetylene, but the theoretical understanding on this reaction over Ni-based IMCs is rather limited. In this work, the adsorptions of the C2 species, Bader charge, projected density of states (PDOS) and the reaction pathways were calculated by the density functional theory (DFT) method...
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ژورنال
عنوان ژورنال: Journal of Energy Chemistry
سال: 2019
ISSN: 2095-4956
DOI: 10.1016/j.jechem.2018.02.001