A MoS 2 nanocatalyst with surface-enriched active sites for the heterogeneous transfer hydrogenation of nitroarenes
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چکیده
منابع مشابه
Influence of Surface Heterogeneities on Complexation of Ethylene with Active Sites of NiMCM-41 Nanocatalyst: A Density Functional Theory Study
Consecutive adsorption of ethylene molecules on different nanoclusters as representatives of the active sites of NiMCM-41 catalyst was investigated with respect to structural, topological, and energetic properties at the B3LYP/6-311+G* and M06/Def2-TZVP levels of theory. The dimeric adsorption of the ethylene molecules was found to be exothermic on all sites (adsorption enthalpies ranging from ...
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ژورنال
عنوان ژورنال: Chinese Journal of Catalysis
سال: 2018
ISSN: 1872-2067
DOI: 10.1016/s1872-2067(17)62925-5