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

High Resolution Image Download MS PowerPoint Slide Nanostructured gas sensors find diverse applications in environmental and agricultural monitoring. Herein, adsorption of phosgene (COCl 2 ) on pure and copper-decorated B 12 N 12 (Cu–BN) is analyzed through density functional theory (DFT) calculatio...

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!