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The Effect of Degrees of Inversion on the Electronic Structure of Spinel NiCo(2)O(4): A Density Functional Theory Study
[Image: see text] In this study, electronic structure calculations and Bader charge analysis have been completed on the inverse, intermediate, and normal spinel structures of NiCo(2)O(4) in both primitive and conventional cells, using density functional theory with Hubbard U correction. Three spinel...
| Autores principales: | , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8047663/ https://www.ncbi.nlm.nih.gov/pubmed/33869949 http://dx.doi.org/10.1021/acsomega.1c00295 |