A computational study of CO oxidation reactions on metal impurities in graphene divacancies-Reference-Cited by-同舟云学术

A computational study of CO oxidation reactions on metal impurities in graphene divacancies

Published:2018 Issue:4 Volume:20 Page:2284-2295
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Tang Yanan¹²³⁴⁵^ORCID,Chen Weiguang¹²³⁴⁵,Shen Zigang¹²³⁴⁵,Li Chenggang¹²³⁴⁵,Ma Dongwei⁶⁷⁸⁵^ORCID,Dai Xianqi¹²³⁴⁵

Affiliation:

1. Quantum materials research Center

2. College of Physics and Electronic Engineering

3. Zhengzhou Normal University

4. Zhengzhou 450044

5. China

6. School of Physics

7. Anyang Normal University

8. Anyang

Abstract

Based on the density functional theory calculations, the formation geometry, electronic properties, and catalytic activity of metal impurities in divacancy graphene (M-DG, M = Mo, Fe, Co, and Ni) were systematically investigated.

Funder

National Natural Science Foundation of China

Natural Science Foundation of Henan Province

Education Department of Henan Province

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2018/CP/C7CP07397F

Reference83 articles.

1. CO Oxidation on Pt(111): AnAb InitioDensity Functional Theory Study

2. Structure and Reactivity of Surface Oxides on Pt(110) during Catalytic CO Oxidation

3. CO Oxidation on Pd(100) and Pd(111): A Comparative Study of Reaction Pathways and Reactivity at Low and Medium Coverages

4. Identification of Active Gold Nanoclusters on Iron Oxide Supports for CO Oxidation

5. Low-temperature catalytic carbon monoxide oxidation over hydrous and anhydrous palladium oxide powders

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