The surface phase structure evolution of the fcc MoC (001) surface in a steam reforming atmosphere: systematic kinetic and thermodynamic investigations

Author:

Chu Changqing12ORCID,Li Chao34,Liu Xue3,Zhao Hang3,Wu Changning2,Li Junguo2,Liu Ke23,Li Qi5,Cao Daofan6

Affiliation:

1. Qingdao Univ Sci & Technol, Inst Climate Change & Energy Sustainable Dev, Qingdao 266061, P.R. China

2. Academy for Advanced Interdisciplinary Studies, Southern University of Science and Technology, 1088 Xueyuan Avenue, Shenzhen 518055, P.R. China

3. Department of Chemistry, College of Science, Southern University of Science and Technology, 1088 Xueyuan Avenue, Shenzhen 518055, P.R. China

4. Harbin Institute of Technology, Harbin, 150080, China

5. Shenzhen Gas Corporation Ltd., Shenzhen, 518049, PR China

6. Birmingham Centre for Energy Storage (BCES) & School of Chemical Engineering, University of Birmingham, B15 2TT UK

Abstract

Systematic ab initio-based calculations were performed to clarify the surface structure evolution of the fcc MoC (001) surface at different H2O/H2 pressures.

Funder

State Key Laboratory of Heavy Oil Processing

Shenzhen Research and Development Program

Guangdong Innovative and Entrepreneurial Research Team Program

Shenzhen Government

Southern University of Science and Technology

Publisher

Royal Society of Chemistry (RSC)

Subject

Catalysis

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