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...

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Detalles Bibliográficos
Autores principales: Chang, Tzu-Chien, Lu, Yi-Ting, Lee, Chih-Heng, Gupta, Jyoti K., Hardwick, Laurence J., Hu, Chi-Chang, Chen, Hsin-Yi Tiffany
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
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

Internet

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

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