Adsorption of Phosgene Gas on Pristine and Copper-Decorated B<sub>12</sub>N<sub>12</sub> Nanocages: A Comparative DFT Study
Shahid HussainDepartment of Applied Chemistry, Government College University, Faisalabad 38000, PakistanRiaz HussainDepartment of Chemistry, University of Okara, Okara 56300, PakistanMuhammad Yasir MehboobDepartment of Chemistry, University of Okara, Okara 56300, PakistanShahzad Ali Shahid ChathaDepartment of Applied Chemistry, Government College University, Faisalabad 38000, PakistanAbdullah Ijaz HussainDepartment of Applied Chemistry, Government College University, Faisalabad 38000, PakistanAli UmarDepartment of Chemistry, University of Okara, Okara 56300, PakistanMuhammad Usman KhanDepartment of Applied Chemistry, Government College University, Faisalabad 38000, PakistanMahmood AhmedMuhammad AdnanCollege of Natural Sciences, Department of Chemistry, Chosun University, Gwangju 501-759, Republic of KoreaKhurshid AyubDepartment of Chemistry, COMSATS University, Abbottabad Campus, Abbottabad 22060, Pakistan
2020en
ABI
Аннотация
-Cu-BN geometries as compared to copper-decorated BN geometries. Therefore, these nanocages may be considered as potential candidates for application in phosgene sensors.
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