Co and Ni single sites on the (111)n surface of γ-Al2O3 – a periodic boundary DFT study-Reference-Cited by-同舟云学术

Co and Ni single sites on the (111)_n surface of γ-Al₂O₃ – a periodic boundary DFT study

Published:2023 Issue:1 Volume:1 Page:117-128
ISSN:2755-2608
Container-title:Industrial Chemistry & Materials
language:en
Short-container-title:Ind. Chem. Mater.

Author:

Gu Jiande¹,Wang Jing¹,Leszczynski Jerzy¹^ORCID

Affiliation:

1. Interdisciplinary Nanotoxicity Center, Department of Chemistry, Physics and Atmospheric Sciences, Jackson State University, Jackson, MS 39217, USA

Abstract

Coordination of Co and Ni single-atom on the most active tri-coordinated Al/Metal single-site (111)n surface of γ-Al2O3 leads to stable electron configuration of d7 for Co and d8 for Ni on the surface of γ-Al2O3.

Funder

National Science Foundation

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2023/IM/D2IM00039C

Reference58 articles.

1. Metal Catalysts for Heterogeneous Catalysis: From Single Atoms to Nanoclusters and Nanoparticles

2. Low Concentration Fe-Doped Alumina Catalysts Using Sol-Gel and Impregnation Methods: The Synthesis, Characterization and Catalytic Performance during the Combustion of Trichloroethylene

3. On the Chemistry of Iron Oxide Supported on γ-Alumina and Silica Catalysts

4. A Theoretical Investigation on CO Oxidation by Single-Atom Catalysts M1 /γ-Al2 O3 (M=Pd, Fe, Co, and Ni)

5. Theoretical DFT Study on the Mechanisms of CO/CO2 Conversion in Chemical Looping Catalyzed by Calcium Ferrite

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