Adsorption of Phosgene Gas on Pristine and Copper-Decorated B<sub>12</sub>N<sub>12</sub> Nanocages: A Comparative DFT Study

Hussain, Shahid; Hussain, Riaz; Yasir Mehboob, Muhammad; Ali Shahid Chatha, Shahzad; Ijaz Hussain, Abdullah; Umar, Ali; Usman Khan, Muhammad; Ahmed, Mahmood; Adnan, Muhammad; Ayub, Khurshid

doi:10.1021/acsomega.0c00507

Public

Adsorption of Phosgene Gas on Pristine and Copper-Decorated B12N12 Nanocages: A Comparative DFT Study

Published in ACS Omega • Mar 26, 2020

Authors:

Shahid Hussain

Riaz Hussain

Muhammad Yasir Mehboob

Abstract

-Cu-BN geometries as compared to copper-decorated BN geometries. Therefore, these nanocages may be considered as potential candidates for application in phosgene sensors.

Subject

Nanocages

Copper

Adsorption

Research Assistant

AI chat, annotations, notes & similar papers

Finding related papers...

Discussions

(0)

No comments yet

Be the first to share your thoughts!