Theoretical study on the reaction mechanism and selectivity of acetylene semi-hydrogenation on Ni–Sn intermetallic catalysts
Author:
Affiliation:
1. State Key Laboratory of Chemical Resource Engineering
2. Beijing University of Chemical Technology
3. Beijing 100029
4. China
5. Institute of Science and Technology Strategy
Abstract
A density functional theory study has been carried out to investigate the mechanism of acetylene hydrogenation on six surfaces of Ni–Sn IMCs, and the geometric effects towards ethylene selectivity was revealed.
Funder
National Natural Science Foundation of China
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2019/CP/C8CP06032K
Reference54 articles.
1. Partial hydrogenation of acetylene using highly stable dispersed bimetallic Pd–Ga/MgO–Al2O3 catalyst
2. Al13Fe4 as a low-cost alternative for palladium in heterogeneous hydrogenation
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4. Intermetallic NixMy(M= Ga and Sn) Nanocrystals: A Non-precious Metal Catalyst for Semi-Hydrogenation of Alkynes
5. Pd−Ga Intermetallic Compounds as Highly Selective Semihydrogenation Catalysts
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