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...
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: | |
Online Access: | https://www.mdpi.com/2079-4991/13/8/1410 |
Similar Items
-
Electronic and Optical Properties of the Graphene and Boron Nitride Nanoribbons in Presence of the Electric Field
by: mohammad hasani, et al.
Published: (2020-05-01) -
Research Progress on Graphene Oxide Nanoribbons Nanohybrids and Graphene Nanoribbons
by: ZHENG Yu-ying, et al.
Published: (2017-06-01) -
Boron Nitride Nanoribbons Grown by Chemical Vapor Deposition for VUV Applications
by: Jiandong Hao, et al.
Published: (2022-08-01) -
Properties of Blue Phosphorene Nanoribbon-P3HT Polymer Heterostructures: DFT First Principles Calculations
by: Benita Turiján-Clara, et al.
Published: (2023-08-01) -
Synthesis of 4H/fcc-Au@Metal Sulfide Core–Shell Nanoribbons
by: Fan, Zhanxi, et al.
Published: (2017)