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

Amirali Abbasi; Jaber Jahanbin Sardroodi; Alireza Rastkar Ebrahimzadeh

Volume 1, Issue 1 , July 2016, , Pages 55-62

https://doi.org/10.7508/jwent.2016.01.007

Abstract
  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 of ...  Read More