Theoretical Study Using First-Principles Calculations of the Electronic Structures of Magnesium Secondary Battery Cathode Materials MgCo2−xMnxO4 (x = 0, 0.5) in the Pristine and Discharged States
In this study, the projected density of states (PDOS) of the stable normal-spinel structure and stable Mg/Co mixed-cation spinel structure of Mg1+yCo2−xMnxO4 (x = 0, 0.5; y = 0, 0.5, 1) in the pristine and discharged states are obtained using first-principles calculations. The spin state and the val...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
The Electrochemical Society of Japan
2021-05-01
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| Series: | Electrochemistry |
| Subjects: | |
| Online Access: | https://www.jstage.jst.go.jp/article/electrochemistry/89/3/89_21-00024/_pdf/-char/en |