Hybrid Functional Study on Small Polaron Formation and Ion Diffusion in the Cathode Material Na(2)Mn(3)(SO(4))(4)

[Image: see text] The crystal structure, electronic structure, and diffusion mechanism of Na ions in the cathode material Na(2)Mn(3)(SO(4))(4) are investigated based on the Heyd–Scuseria–Ernzerhof hybrid density functional method. The simultaneous motion model of polaron–sodium vacancy complexes was...

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Detalles Bibliográficos
Autores principales: Tran, Thien Lan, Luong, Huu Duc, Duong, Diem My, Dinh, Nhu Thao, Dinh, Van An
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7081391/
https://www.ncbi.nlm.nih.gov/pubmed/32201834
http://dx.doi.org/10.1021/acsomega.0c00009

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7081391/
https://www.ncbi.nlm.nih.gov/pubmed/32201834
http://dx.doi.org/10.1021/acsomega.0c00009

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