Insight into both coverage and surface structure dependent CO adsorption and activation on different Ni surfaces from DFT and atomistic thermodynamics

Author:

Hao Xiaobin1234,Wang Baojun1234,Wang Qiang56784,Zhang Riguang1234,Li Debao56784

Affiliation:

1. Key Laboratory of Coal Science and Technology of Ministry of Education and Shanxi Province

2. Taiyuan University of Technology

3. Taiyuan 030024

4. P. R. China

5. State Key Laboratory of Coal Conversion

6. Institute of Coal Chemistry

7. Chinese Academy of Sciences

8. Taiyuan 030001

Abstract

CO adsorption and activation from low to high coverage on Ni catalyst.

Funder

Natural Science Foundation of Shanxi Province

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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