Cargando…
Adsorption of Phosgene Gas on Pristine and Copper-Decorated B(12)N(12) Nanocages: A Comparative DFT Study
[Image: see text] Nanostructured gas sensors find diverse applications in environmental and agricultural monitoring. Herein, adsorption of phosgene (COCl(2)) on pure and copper-decorated B(12)N(12) (Cu–BN) is analyzed through density functional theory (DFT) calculations. Adsorption of copper on B(12...
Autores principales: | , , , , , , , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2020
|
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7144133/ https://www.ncbi.nlm.nih.gov/pubmed/32280908 http://dx.doi.org/10.1021/acsomega.0c00507 |