The reaction mechanism and selectivity of acetylene hydrogenation over Ni–Ga intermetallic compound catalysts: a density functional theory study
Author:
Affiliation:
1. State Key Laboratory of Chemical Resource Engineering
2. Beijing University of Chemical Technology
3. Beijing 100029
4. China
5. Beijing Centre for Physical & Chemical Analysis
6. Beijing 100089
Abstract
A Ga-rich NiGa(111) surface significantly reduces the adsorption strength of acetylene and ethylene, and shows high selectivity to ethylene for acetylene semihydrogenation.
Funder
National Natural Science Foundation of China
Publisher
Royal Society of Chemistry (RSC)
Subject
Inorganic Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2018/DT/C7DT04726F
Reference83 articles.
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