Ab initio study of radiation effects on the Li4Ti5O12 electrode used in lithium-ion batteries
Abstract
Lithium-ion batteries are currently in wide use owing to their high energy density and enhanced capabilities. Li4Ti5O12 is a promising anode material for lithium-ion batteries because of its advantageous properties. Lithium-ion batteries could be exposed to radiation occurring in various conditions such as during outer space exploration and nuclear accidents. In this study, we apply density functional theory to explore the effect of radiation damage on this electrode and, ultimately, on the performance of the battery. It was found that radiation could affect the structural stability of the material. Furthermore, the electrode was shown to undergo a transition from insulator to metal, following the defects due to radiation. In addition, the effect of radiation on the intercalation potential was found to be highly dependent on the nature of the defect induced.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Apr 01, 2015
- Source ID
- 10.1063/1.4917308
Entities
People
- Adib J. Samin
- Lei Cao
- Michael Kurth
Organizations
- Defense Threat Reduction Agency
- Ohio State University