Evolution of Discharge Products on Carbon Nanotube Cathodes in Li–O2 Batteries Unraveled by Molecular Dynamics and Density Functional Theory

Author:

Yi Xiaoping1,Liu Xunliang12ORCID,Pan Wending3,Qin Bin4,Fang Juan1,Jiang Kai1,Deng Shengan1,Meng Yuan1,Leung Dennis Y. C.3ORCID,Wen Zhi12

Affiliation:

1. School of Energy and Environmental Engineering, University of Science and Technology Beijing, Beijing 100083, China

2. Beijing Key Laboratory of Energy Saving and Emission Reduction for Metallurgical Industry, School of Energy and Environmental Engineering, University of Science and Technology Beijing, Beijing 100083, China

3. Department of Mechanical Engineering, The University of Hong Kong, Hong Kong 999077, China

4. Department of Chemistry, The University of Hong Kong, Hong Kong 999077, China

Funder

National Natural Science Foundation of China

Publisher

American Chemical Society (ACS)

Subject

Catalysis,General Chemistry

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