Modeling electrochemical properties of LiMn $$_{1-x}$$ 1 - x Co $$_{x}$$ x BO $$_3$$ 3 for cathode materials in lithium-ion rechargeable batteries
Abstract In this work, we report first-principle calculations of the electrochemical properties of lithitated and delithiated LiMn $$_{1-x}$$ 1 - x Co $$_{x}$$ x BO $$_3$$ 3 ( $$x = 0$$ x = 0 , 0.25, 0.5, 0.75, 1) crystals based on the density functional theory (DFT) with the generalized gradient ap...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Publishing Group
2021-06-01
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| Series: | Scientific Reports |
| Online Access: | https://doi.org/10.1038/s41598-021-90317-0 |