Hydrogen Storage in Bilayer Hexagonal Boron Nitride: A First-Principles Study

[Image: see text] Using first-principles calculations, we report on the structural and electronic properties of bilayer hexagonal boron nitride (h-BN), incorporating hydrogen (H(2)) molecules inside the cavity for potential H(2)-storage applications. Decrease in binding energies and desorption tempe...

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Detalles Bibliográficos
Autores principales: Rai, Dibya Prakash, Chettri, Bhanu, Patra, Prasanta Kumar, Sattar, Shahid
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8603186/
https://www.ncbi.nlm.nih.gov/pubmed/34805667
http://dx.doi.org/10.1021/acsomega.1c03443

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8603186/
https://www.ncbi.nlm.nih.gov/pubmed/34805667
http://dx.doi.org/10.1021/acsomega.1c03443

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