The effect of Ni-doping on the stability of Li2MnO3 cathode material: a DFT study
The density functional theory with Hubbard parameter (DFT+U) incorporated within the Vienna Ab Initio Simulation Package was utilized to investigate the structural, electronic, elastic, and dynamical properties of pristine and Ni-doped Li2MnO3. The cluster expansion technique was used to generate th...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
EDP Sciences
2023-01-01
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| Series: | MATEC Web of Conferences |
| Online Access: | https://www.matec-conferences.org/articles/matecconf/pdf/2023/15/matecconf_rapdasa2023_07005.pdf |