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

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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Bibliographic Details
Main Authors: Francisco Villanueva-Mejia, Santiago José Guevara-Martínez, Manuel Arroyo-Albiter, José Juan Alvarado-Flores, Adalberto Zamudio-Ojeda
Format: Article
Language:English
Published: MDPI AG 2023-04-01
Series:Nanomaterials
Subjects:
reactivity
nanoribbons
adsorption
BNNRs
Online Access:https://www.mdpi.com/2079-4991/13/8/1410

Internet

https://www.mdpi.com/2079-4991/13/8/1410

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