Impact Factor: 5.6     h-index: 27

Investigation of Adsorption Properties of Al12N12, SiAl11N12, and GaAl11N12 Nanoclusters for Sarin Detection: A Comparative DFT Study
Investigation of Adsorption Properties of Al12N12, SiAl11N12, and GaAl11N12 Nanoclusters for Sarin Detection: A Comparative DFT Study

Mahdi Mohammad Alizadeh; Farshid Salimi; Gholamreza Ebrahimzadeh-Rajaei

Volume 7, Issue 3 , March 2023, , Pages 248-256

https://doi.org/10.22034/chemm.2023.370868.1628

Abstract
  In this study, the capability to adsorb and detect of pure and doped Al12N12 nanoclusters were utilized to detect sarin nerve agents using the density functional theory (DFT) calculation. ...  Read More