Defect Properties and Lithium Incorporation in Li<sub>2</sub>ZrO<sub>3</sub>
Lithium zirconate is a candidate material in the design of electrochemical devices and tritium breeding blankets. Here we employ an atomistic simulation based on the classical pair-wise potentials to examine the defect energetics, diffusion of Li-ions, and solution of dopants. The Li-Frenkel is the...
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| Autors principals: | , , , |
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| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
MDPI AG
2021-07-01
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| Col·lecció: | Energies |
| Matèries: | |
| Accés en línia: | https://www.mdpi.com/1996-1073/14/13/3963 |
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