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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...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2018
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| 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 |