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

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

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

2020

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

Nanostructured gas sensors find diverse applications in environmental and agricultural monitoring. Herein, adsorption of phosgene (COCl2) on pure and copper-decorated B12N12 (Cu–BN) is analyzed thr...

Keywords:

Adsorption
Nanocages
Copper
Chemical engineering
Materials science
Phosgene

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