Identifying magic-number structures of supported sub-nano Ni clusters and the influence of hydrogen coverage: a density functional theory based particle swarm optimization investigation-Reference-Cited by-同舟云学术

Identifying magic-number structures of supported sub-nano Ni clusters and the influence of hydrogen coverage: a density functional theory based particle swarm optimization investigation

Published:2023 Issue:7 Volume:13 Page:2080-2091
ISSN:2044-4753
Container-title:Catalysis Science & Technology
language:en
Short-container-title:Catal. Sci. Technol.

Author:

Ma Qitang¹,Zhu Houyu¹^ORCID,Liu Dongyuan¹,Li Rui¹,Li Tuya¹,Ren Hao¹^ORCID,Zhao Wen¹,Pan Yuan²^ORCID,Liu Yunqi²,Guo Wenyue¹^ORCID

Affiliation:

1. School of Materials Science and Engineering, China University of Petroleum (East China), Qingdao, Shandong 266580, China

2. State Key Laboratory of Heavy Oil Processing, College of Chemical Engineering, China University of Petroleum (East China), Qingdao, Shandong 266580, China

Abstract

Density functional theory based particle swarm optimization calculations were performed to identify magic-number structures of supported sub-nano Ni clusters and the influence of hydrogen coverage.

Funder

National Natural Science Foundation of China

Fundamental Research Funds for the Central Universities

Publisher

Royal Society of Chemistry (RSC)

Subject

Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CY/D3CY00037K

Reference81 articles.

1. Tuning precise numbers of supported nickel clusters on graphdiyne for efficient CO2 electroreduction toward various multi-carbon products

2. Atomically Precise Noble Metal Nanoclusters as Efficient Catalysts: A Bridge between Structure and Properties

3. Catalysis by clusters with precise numbers of atoms

4. Supported Metal Clusters: Fabrication and Application in Heterogeneous Catalysis

5. Oxide‐Supported Gold Clusters and Nanoparticles in Catalysis: A Computational Chemistry Perspective

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