Exploring battery cathode materials in the Li-Ni-O phase diagrams using structure prediction
The Li-Ni-O phase diagram contains several electrochemically active ternary phases. Many compositions and structures in this phase space can easily be altered by (electro-)chemical processes, yielding many more (meta-)stable structures with interesting properties. In this study, we use ab initio ran...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
IOP Publishing
2023-01-01
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| Series: | JPhys Energy |
| Subjects: | |
| Online Access: | https://doi.org/10.1088/2515-7655/acdd9c |