Control of surface reactivity towards unsaturated CC bonds and H over Ni-based intermetallic compounds in semi-hydrogenation of acetylene

作者: Yuanjun Song , Siris Laursen

DOI: 10.1016/J.JCAT.2019.02.018

关键词: IntermetallicStoichiometryAcetyleneEthyleneCrystallographyBoronTransition metalChemistryCatalysisNickel

摘要: Abstract Intermetallic compounds composed of transition metals and semimetals or post-transition have been shown to exhibit elevated selectivity in olefins aromatics production other reactions that require control C activation functionalization. The vast number element combinations available for intermetallic compound necessitates down-selecting isolate catalytically useful compositional spaces. In this study, we investigated the semi-hydrogenation acetylene over isoelectronic nickel boron group elements at a bulk stoichiometry 1:1. We isolated orbital overlap between IMC constituent tracks well with nature their bonding, surface reactivity, catalytic preference ethylene. trend appears be universal marks subspace within is promising focus further studies upon. Results also suggest possibility accessing New Br o nsted–Evans–Polanyi relationships compounds.

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