Selective hydrogenation of acetylene to ethylene on anatase TiO2 through first-principles studies

Author:

Wan Qiang12345ORCID,Chen Yang6785,Zhou Shulan910115,Lin Jian6785ORCID,Lin Sen12345ORCID

Affiliation:

1. State Key Laboratory of Photocatalysis on Energy and Environment

2. College of Chemistry

3. Fuzhou University

4. Fuzhou 350002

5. China

6. CAS Key Laboratory of Science and Technology on Applied Catalysis

7. Dalian Institute of Chemical Physics

8. Chinese Academy of Science

9. School of Chemistry and Chemical Engineering

10. Shandong University of Technology

11. Zibo 255049

Abstract

Theoretical prediction with experimental verification reveals that anatase TiO2, conventionally recognized as an inert material, can exhibit promising catalytic performance towards selective hydrogenation of acetylene to ethylene after introducing oxygen vacancies.

Funder

National Natural Science Foundation of China

Natural Science Foundation of Jiangxi Province

Youth Innovation Promotion Association of the Chinese Academy of Sciences

Natural Science Foundation of Fujian Province

Publisher

Royal Society of Chemistry (RSC)

Subject

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

Reference69 articles.

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2. S. P. Thomas and M. D.Greenhalgh , in Comprehensive Organic Synthesis II , ed. P. Knochel , Elsevier , Amsterdam , 2nd edn, 2014 , pp. 564–604

3. Isolated Fe(III)–O Sites Catalyze the Hydrogenation of Acetylene in Ethylene Flows under Front-End Industrial Conditions

4. On the Role of Surface Modifications of Palladium Catalysts in the Selective Hydrogenation of Acetylene

5. PdCx nanocrystals with tunable compositions for alkyne semihydrogenation

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