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DFT Study of Adsorption Behavior of Nitro Species on Carbon-Doped Boron Nitride Nanoribbons for Toxic Gas Sensing

The modifications of the electronic properties on carbon-doped boron nitride nanoribbons (BNNRs) as a response to the adsorption of different nitro species were investigated in the framework of the density functional theory within the generalized gradient approximation. Calculations were performed u...

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Detalles Bibliográficos
Autores principales:	Villanueva-Mejia, Francisco, Guevara-Martínez, Santiago José, Arroyo-Albiter, Manuel, Alvarado-Flores, José Juan, Zamudio-Ojeda, Adalberto
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2023
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10143892/ https://www.ncbi.nlm.nih.gov/pubmed/37110995 http://dx.doi.org/10.3390/nano13081410

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