Atomistic Simulations of the Defect Chemistry and Self-Diffusion of Li-ion in LiAlO<sub>2</sub>

Atomistic Simulations of the Defect Chemistry and Self-Diffusion of Li-ion in LiAlO<sub>2</sub>

Lithium aluminate, LiAlO<sub>2</sub>, is a material that is presently being considered as a tritium breeder material in fusion reactors and coating material in Li-conducting electrodes. Here, we employ atomistic simulation techniques to show that the lowest energy intrinsic defect proces...

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Bibliographic Details
Main Authors: N. Kuganathan, J. Dark, E.N. Sgourou, Y. Panayiotatos, A. Chroneos
Format: Article
Language:English
Published: MDPI AG 2019-07-01
Series:Energies
Subjects:
LiAlO<sub>2</sub>
defects
Li diffusion
dopants
atomistic simulation
Online Access:https://www.mdpi.com/1996-1073/12/15/2895

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https://www.mdpi.com/1996-1073/12/15/2895

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