Exploring Carbon Monoxide and Carbon Dioxide Adsorption on (5,5) Aluminum Nitride Nanotubes for Enhanced Sensor Applications: A DFT Study

Exploring Carbon Monoxide and Carbon Dioxide Adsorption on (5,5) Aluminum Nitride Nanotubes for Enhanced Sensor Applications: A DFT Study

This study examined the sensitivity of single-walled (5,5) aluminium nitride nanotubes ((5,5) AlNNTs) to carbon monoxide (CO) and carbon dioxide (CO<sub>2</sub>) gas molecules by performing DFT calculations using a hybrid functional, specifically, B3LYP (Becke’s three-parameter, Lee-Yang...

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Bibliographic Details
Main Authors: Nafiu Suleiman, Vitus Atanga Apalangya, Bismark Mensah, Kwabena Kan-Dapaah, Abu Yaya
Format: Article
Language:English
Published: MDPI AG 2024-01-01
Series:Molecules
Subjects:
CO
CO<sub>2</sub>
density functional theory (DFT)
nanotubes
HOMO–LUMO orbitals
sensors
Online Access:https://www.mdpi.com/1420-3049/29/3/557

Internet

https://www.mdpi.com/1420-3049/29/3/557

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