The modulation mechanism of geometric and electronic structures of bimetallic catalysts: Pd13−mAgm (m=0–13) clusters for acetylene semi-hydrogenation

Author:

Wei Panpeng1,Zheng Jian1,Li Qiang2,Qin Yucai2,Guan Huimin2,Tan Duping3,Song Lijuan12ORCID

Affiliation:

1. College of Chemistry and Chemical Engineering, China University of Petroleum, Qingdao, Shandong 266580, China

2. Key Laboratory of Petrochemical Catalytic Science and Technology, Liaoning Province, Liaoning Petrochemical University, Fushun, Liaoning 113001, China

3. Lanzhou Petrochemical Research Center, Petrochemical Research Institute, Petrochina, Lanzhou 730060, China

Abstract

The modulation mechanism of the second metal in bimetallic catalysts is examined by taking acetylene semi-hydrogenation over Pd13−mAgm clusters, in which a metastable Pd6Ag7 structure exhibits excellent activity/selectivity to ethylene.

Funder

National Natural Science Foundation of China

Natural Science Foundation of Liaoning Province

Publisher

Royal Society of Chemistry (RSC)

Subject

Inorganic Chemistry

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1. Role of the middle-shell in the stability of three-shell nanoparticles: A molecular dynamics study;Colloids and Surfaces A: Physicochemical and Engineering Aspects;2023-11

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