Hydrogenation and Fluorination of 2D Boron Phosphide and Boron Arsenide: A Density Functional Theory Investigation

[Image: see text] First-principles density functional theory calculations are performed to study the stability and electronic properties of hydrogenated and fluorinated two-dimensional sp(3) boron phosphide (BP) and boron arsenide (BAs). As expected, the phonon dispersion spectrum and phonon density...

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Detalles Bibliográficos
Autores principales: Ullah, Saif, Denis, Pablo A., Sato, Fernando
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2018
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6643375/
https://www.ncbi.nlm.nih.gov/pubmed/31458278
http://dx.doi.org/10.1021/acsomega.8b02605

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6643375/
https://www.ncbi.nlm.nih.gov/pubmed/31458278
http://dx.doi.org/10.1021/acsomega.8b02605

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