Insights into oxygen activation on metal clusters for catalyst design

Author:

Chen Li Xin12345,Wen Zi12345,Chen Zhi Wen6789,Singh Chandra Veer678910ORCID,Jiang Qing12345ORCID

Affiliation:

1. Key Laboratory of Automobile Materials

2. Ministry of Education

3. School of Materials Science and Engineering

4. Jilin University

5. Changchun 130022

6. Department of Materials Science and Engineering

7. University of Toronto

8. Toronto

9. Canada

10. Department of Mechanical and Industrial Engineering

Abstract

Square M4 fragments of metal clusters are designed as the most promising active sites for O2 activation, where a new descriptor Esum, combining Ead-O2 and EO–O, is proposed for evaluating the catalytic activity of aerobic oxidation reactions.

Funder

National Natural Science Foundation of China

Canadian Network for Research and Innovation in Machining Technology, Natural Sciences and Engineering Research Council of Canada

University of Toronto

Publisher

Royal Society of Chemistry (RSC)

Subject

General Materials Science,Renewable Energy, Sustainability and the Environment,General Chemistry

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