Formation of lattice vacancies and their effects on lithium-ion transport in LiBO <sub>2</sub> crystals: comparative <i>ab initio</i> studies
In this work, comparative ab initio studies showed that boron vacancies in LiBO 2 enhance its lithium-ion transport, suggesting that generation of boron vacancies ( e.g. , using neutron irradiation) could improve its ionic conductivity.
Authors
- Thomas Heitmann
- J.M. Gahl
- Yangchuan Xing (ORCID: https://orcid.org/0000-0002-5985-3222)
- S. Amaya-Roncancio (ORCID: https://orcid.org/0000-0001-5984-6252)
- Carlos Wexler (ORCID: https://orcid.org/0000-0002-7038-2628)
- Carson Ziemke
- Ha My Nu Nguyen
Institutions
- University of the Coast (CO)
- University of Missouri (US)
Publication Details
- Journal
- Journal of Materials Chemistry A
- Published
- 2024-12-10
- DOI
- https://doi.org/10.1039/d4ta05713a
- Citations
- 5
- Primary Topic
- Semiconductor materials and devices
- Type
- article
- Field-Weighted Citation Impact
- 1.04
Funders
- National Science Foundation
- University of Missouri