In hot pursuit: tracking ionic and phononic heat carriers in Li <sub>3</sub> OCl across temperatures
Using machine-learned molecular dynamics and ab initio anharmonic lattice dynamics, we reveal the temperature-dependent thermal transport mechanisms in Li 3 OCl, including a non-negligible ionic heat transport above ∼1100 K.
Authors
- Traian Dumitrică (ORCID: https://orcid.org/0000-0001-6320-1625)
- Yatian Zhang (ORCID: https://orcid.org/0000-0003-4902-2887)
- Zhen Tong (ORCID: https://orcid.org/0000-0002-3932-6687)
- Thomas Frauenheim (ORCID: https://orcid.org/0000-0002-3073-0616)
Institutions
- University of Minnesota (US)
- Sun Yat-sen University (CN)
- University of Bremen (DE)
- Constructor University (DE)
- Chengdu University (CN)
Publication Details
- Journal
- Journal of Materials Chemistry A
- Published
- 2025-01-01
- DOI
- https://doi.org/10.1039/d5ta05593h
- Citations
- 1
- Primary Topic
- Advancements in Battery Materials
- Type
- article
- Field-Weighted Citation Impact
- 0.73