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...
Main Authors: | , , |
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Format: | Article |
Language: | English |
Published: |
Iranian Environmental Mutagen Society
2016-07-01
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Series: | Journal of Water and Environmental Nanotechnology |
Subjects: | |
Online Access: | http://www.jwent.net/article_20479_0f285e073f9ff5e2ed0b04697b9dd70d.pdf |