A computational study of supported Cu-based bimetallic nanoclusters for CO oxidation-Reference-Cited by-同舟云学术

A computational study of supported Cu-based bimetallic nanoclusters for CO oxidation

Published:2018 Issue:11 Volume:20 Page:7508-7513
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Liu Yulu¹²³⁴⁵,Li Hao⁴⁵⁶⁷,Cen Wanglai⁴⁵⁶⁷⁸^ORCID,Li Jianjun¹²³,Wang Zhengming⁹¹⁰¹¹¹²,Henkelman Graeme⁴⁵⁶⁷^ORCID

Affiliation:

1. College of Architecture and Environment

2. Sichuan University

3. P. R. China

4. Department of Chemistry and the Institute for Computational Engineering and Sciences

5. The University of Texas at Austin

6. Austin

7. USA

8. Institute of New Energy and Low Carbon Technology

9. Environmental Management Research Institute

10. National Institute of Advanced Industrial Science and Technology

11. Ibaraki 305-5869

12. Japan

Abstract

In this study, we used DFT calculations to investigate the bi-functional nature of Cu-based alloy nanoclusters (NCs) supported on CeO₂(111) for CO oxidation.

Funder

Welch Foundation

National Science Foundation

U.S. Department of Energy

China Scholarship Council

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/C7CP08578H

Reference63 articles.

1. CO Oxidation as a Prototypical Reaction for Heterogeneous Processes

2. A computational DFT study of CO oxidation on a Au nanorod supported on CeO2(110): on the role of the support termination

3. Nanostructured ceria-based materials: synthesis, properties, and applications

4. CO Oxidation Mechanism on CeO2-Supported Au Nanoparticles

5. Theory of gold on ceria

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