Voltage estimation of layered cathode materials LiMO2 (M=Al, Mn, Co, Ni, Cu, Zn) for lithium-ion batteries by using Compton profiles
Electronic structures were calculated by CRYSTAL14 code for the layered cathode materials LiMO2 (M=Al, Mn, Co, Ni, Cu, Zn). Mülliken population and Compton profile analysis showed that the redox orbitals are dominated by the O 2p states. The voltages of the redox reaction for LixMO2 were estimated f...
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| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2025-07-01
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| Series: | Next Energy |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2949821X25000122 |
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