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A DFT prediction of two-dimensional MB(3) (M = V, Nb, and Ta) monolayers as excellent anode materials for lithium-ion batteries

Transition metal borides (MBenes) have recently drawn great attention due to their excellent electrochemical performance as anode materials for lithium-ion batteries (LIBs). Using the structural search code and first-principles calculations, we identify a group of the MB(3) monolayers (M = V, Nb and...

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Detalles Bibliográficos
Autores principales: Wang, Jiahui, Bai, Lina, Zhao, Xiangru, Gao, Hong, Niu, Li
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9535470/
https://www.ncbi.nlm.nih.gov/pubmed/36320537
http://dx.doi.org/10.1039/d2ra05111g