First-principles investigation of the effect of Co in stabilizing the structures of layer-structured cathodes in delithiated state
The structural and chemical features of delithiated layer-structured cathodes (Li _0.333 TMO _2 , TM = Ni and Co) are investigated. Energetically stable structures are evaluated by combing particle swarm optimization algorithm and density functional theory calculations. The concentration of defects...
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| Format: | Article |
| Language: | English |
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IOP Publishing
2020-01-01
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| Series: | Materials Research Express |
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| Online Access: | https://doi.org/10.1088/2053-1591/aba804 |