The influence of Cl doping on the structural, electronic properties and Li-ion migration of LiFePO4: A DFT study
Modifying LiFePO4 with anion doping can improve the electrochemical performance of lithium-ion batteries. Here, theoretical work of Cl-doped LiFePO4 is performed using density functional theory (DFT) to calculate the structural, electronic properties and Li-ion migration. The substitution of chlorin...
| Published in: | Computational and Theoretical Chemistry |
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| Main Author: | |
| Format: | Article |
| Language: | English |
| Published: |
Elsevier B.V.
2023
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| Online Access: | https://www.scopus.com/inward/record.uri?eid=2-s2.0-85146258954&doi=10.1016%2fj.comptc.2023.114029&partnerID=40&md5=596b5e0f420ce7e42918b6d556f75873 |