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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...

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Detalles Bibliográficos
Autores principales:	Hussain, Shahid, Hussain, Riaz, Mehboob, Muhammad Yasir, Chatha, Shahzad Ali Shahid, Hussain, Abdullah Ijaz, Umar, Ali, Khan, Muhammad Usman, Ahmed, Mahmood, Adnan, Muhammad, Ayub, Khurshid
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

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