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Hydrogen storage in Li, Na and Ca decorated and defective borophene: a first principles study

Recently synthesized two-dimensional (2D) borophene possesses unique structural, mechanical, electrical and optical properties. Herein, we present a comprehensive study of H(2) storage in alkali metal decorated and defect containing 2D borophene using density functional theory calculations. While th...

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Detalles Bibliográficos
Autores principales: Haldar, Sandip, Mukherjee, Sankha, Singh, Chandra Veer
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9080804/
https://www.ncbi.nlm.nih.gov/pubmed/35542354
http://dx.doi.org/10.1039/c7ra12512g