TiO2/Gold nanocomposite as an extremely sensitive molecule sensor for NO2 detection: A DFT study

First-principles calculations within density functional theory (DFT) have been performed to investigate the interactions of NO2 molecules with TiO2/Gold nanocomposites in order to completely exploit the adsorption properties of these nanostructures. Given the need to further comprehend the behavior...

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Bibliographic Details
Main Authors: Amirali Abbasi, Jaber Jahanbin Sardroodi, Alireza Rastkar Ebrahimzadeh
Format: Article
Language:English
Published: Iranian Environmental Mutagen Society 2016-07-01
Series:Journal of Water and Environmental Nanotechnology
Subjects:
Online Access:http://www.jwent.net/article_20479_0f285e073f9ff5e2ed0b04697b9dd70d.pdf