SF6 decomposed products based on AlN nanocage
Taha, R., Shalabi, A., Assem, M., Soliman, K. (2022). SF6 decomposed products based on AlN nanocage. EKB Journal Management System, 7(12), 137-143. doi: 10.21608/bjas.2022.342405
R. A. Taha; A. S. Shalabi; M. M. Assem; K. A. Soliman. "SF6 decomposed products based on AlN nanocage". EKB Journal Management System, 7, 12, 2022, 137-143. doi: 10.21608/bjas.2022.342405
Taha, R., Shalabi, A., Assem, M., Soliman, K. (2022). 'SF6 decomposed products based on AlN nanocage', EKB Journal Management System, 7(12), pp. 137-143. doi: 10.21608/bjas.2022.342405
Taha, R., Shalabi, A., Assem, M., Soliman, K. SF6 decomposed products based on AlN nanocage. EKB Journal Management System, 2022; 7(12): 137-143. doi: 10.21608/bjas.2022.342405

SF6 decomposed products based on AlN nanocage

Benha Journal of Applied Sciences
Article 15, Volume 7, Issue 12, December 2022, Page 137-143  XML PDF (969.36 K)
Document Type: Original Research Papers
DOI: 10.21608/bjas.2022.342405
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Authors
R. A. Taha; A. S. Shalabi; M. M. Assem; K. A. Soliman
Department of Chemistry, Faculty of Science, Benha University, P.O. Box 13518, Benha, Egypt
Abstract
SF6 decomposition products: SO2, SOF2, and SO2F2 were investigated using Al24N24 nanocage based on density functional theory (DFT).  The adsorption properties were studied by analyzing adsorption energy, charge transfer, frontier molecular orbitals, and density of states (DOS).  Our calculation suggests that the adsorption ability of Al24N24 to SO2 and SOF2 are stronger than adsorption of SO2F2 gas due to chemical adsorption. The results show that Al24N24 nanocage plays crucial role for detecting SF6 decomposition gas with high sensitivity and selectivity.
Keywords
DFT; SF6 decomposition products - Al24N24 nanocage -Adsorption properties
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