High throughput screening of high entropy spinel electrolytes for multivalent batteries
High-entropy (HE) design emerged as a promising path for discovering multivalent superionic conductors. This work provides a computational exploration of the synthesizability of HE spinel-based electrolytes among the typical chemical space. Design principles have been established, while experimental synthesis has supported the stability rules predicted by computational data.
Authors
- Gui‐Liang Xu (ORCID: https://orcid.org/0000-0001-9969-883X)
- Zhengda He
- Mahesh J. Dheerasinghe
- Yi Gan
- Bin Ouyang (ORCID: https://orcid.org/0000-0002-8181-6815)
- Yang Zhao (ORCID: https://orcid.org/0000-0002-4148-2603)
- Lin Wang (ORCID: https://orcid.org/0009-0004-7472-9221)
- Yufang He (ORCID: https://orcid.org/0000-0002-0298-6171)
Institutions
- Florida State University (US)
- Western University (CA)
- Argonne National Laboratory (US)
Publication Details
- Journal
- Chemical Communications
- Published
- 2025-01-01
- DOI
- https://doi.org/10.1039/d5cc02095f
- Citations
- 2
- Primary Topic
- Advancements in Battery Materials
- Type
- article
- Field-Weighted Citation Impact
- 1.46
Funders
- U.S. Department of Energy
- Florida State University
- National Energy Research Scientific Computing Center
- Office of Energy Efficiency and Renewable Energy
- Office of Energy Efficiency
- Argonne National Laboratory