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Cyclophosphamide drug sensing characteristics by using pure and Ti-doped graphyne-like BN-yne

Thulfeqar Ahmed Hamza, Ehab Salam Hussein,Mustafa M. Kadhim,Ahmed Mahdi Rheima,Mohammed F. Al-Marjani,Layth Haitham Alattia,Zahra Muhammed Mahdi,Safa K. Hachim,Mohaned Adel

Inorganic Chemistry Communications（2023）

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Abstract
•CP drug sensing on the single Ti atom supported on graphyne-like BN-yne nanosheets was investigated by DFT calculation.•Ti-BN-yne monolayer exhibits ideal adsorption and sensing properties for CP drug.•The electronic behavior and sensitivity analysis help to understand mechanism and reflect the excellent applicability.
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Key words
Cyclophosphamide,Electrical conductivity,Recovery time,Electronic sensor,Thermodynamic stability
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