Density functional theory studies on tuning Ta <sub> <i>X</i> </sub> Ti <sub> (1− <i>X</i> ) </sub> S <sub>2</sub> for insoluble Li <sub>2</sub> S <sub>2</sub> –Li <sub>2</sub> S conversion in lithium–sulfur batteries
Due to the complexity of insoluble Li 2 S 2 –Li 2 S conversion, few descriptors exist to correlate the catalytic performance and the underlying electronic structures of a given catalyst, which inhibits the development of lithium–sulfur catalysts.
Authors
- Yuhan Wang (ORCID: https://orcid.org/0009-0000-8005-9384)
- Chao Gao (ORCID: https://orcid.org/0000-0001-5313-7404)
- Jianhua Hou (ORCID: https://orcid.org/0000-0002-1525-4551)
- Ruixia Hao (ORCID: https://orcid.org/0000-0003-3670-9137)
- Jinyan Chen (ORCID: https://orcid.org/0000-0002-2527-7597)
- Shuai Zhao (ORCID: https://orcid.org/0009-0005-8173-2864)
Institutions
- Changchun University of Science and Technology (CN)
- Ministry of Education of the People's Republic of China (CN)
Publication Details
- Journal
- Journal of Materials Chemistry A
- Published
- 2025-01-01
- DOI
- https://doi.org/10.1039/d5ta01770j
- Citations
- 4
- Primary Topic
- Advanced Battery Materials and Technologies
- Type
- article
- Field-Weighted Citation Impact
- 2.92