Six-dimensional quantum dynamics of dissociative chemisorption of H2 on Co(0001) on an accurate global potential energy surface-Reference-Cited by-同舟云学术

Six-dimensional quantum dynamics of dissociative chemisorption of H2 on Co(0001) on an accurate global potential energy surface

Author:

Jiang Bin¹²³⁴^ORCID,Hu Xixi¹²³⁴⁵,Lin Sen⁶⁷⁸⁹¹⁰,Xie Daiqian⁵¹¹¹²¹³¹⁴,Guo Hua¹²³⁴

Affiliation:

1. Department of Chemistry and Chemical Biology

2. University of New Mexico

3. Albuquerque

4. USA

5. Institute of Theoretical and Computational Chemistry

6. State Key Laboratory of Photocatalysis on Energy and Environment

7. College of Chemistry

8. Fuzhou University

9. Fuzhou 350002

10. China

11. Key Laboratory of Mesoscopic Chemistry

12. School of Chemistry and Chemical Engineering

13. Nanjing University

14. Nanjing 210093

Abstract

Six-dimensional quantum dynamics of hydrogen dissociative chemisorption on Co(0001) is investigated on a DFT based potential energy surface.

Funder

Division of Chemistry

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

Reference73 articles.

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