First Principles Investigation of NASICON-Structured LiTi2(PO4)3 and Mg0.5Ti2(PO4)3 Solid Electrolytes
The structural and electronic properties of NASICON-Structured LiTi2(PO4)3 and Mg0.5Ti2(PO4)3 were studied by performing first-principles Density Functional Theory (DFT) calculations. Geometrical optimization was conducted before the primitive cell of these structures by using different exchange-cor...
| Published in: | International Journal of Electrochemical Science |
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| Main Author: | |
| Format: | Article |
| Language: | English |
| Published: |
Electrochemical Science Group
2022
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| Online Access: | https://www.scopus.com/inward/record.uri?eid=2-s2.0-85122575767&doi=10.20964%2f2022.01.03&partnerID=40&md5=08c8dcd5f4b1174c9d52671df793e895 |