Discriminating sensing of explosive molecules using graphene–boron nitride–graphene heteronanosheets |
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| Authors: | Laith A. Algharagholy Qusiy H. Al-Galiby Amaal A. Al-Backri Hatef Sadeghi Ahmed A. Wabdan |
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| Affiliation: | Department of Physics, College of Science, University of Sumer, Al Rifaee, Thi Qar, Iraq.; Physics Department, College of Education, University of Al-Qadisiyah, Diwaniyah Iraq ; Department of Astronomy and Space, College of Science, University of Baghdad, Baghdad Iraq ; Device Modelling Group, School of Engineering, University of Warwick, Coventry CV4 7AL UK.; Department of Science, College of Basic Education, University of Sumer, Al Rifaee, Thi Qar, Iraq |
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| Abstract: | Since the synthesis of graphene–boron nitride heterostructures, their interesting electronic properties have attracted huge attention for real-world nanodevice applications. In this work, we combined density functional theory (DFT) with a Green''s function approach to examine the potential of graphene–boron nitride–graphene heteronanosheets (h-NSHs) for discriminating single molecule sensing. Our result demonstrates that the graphene–boron nitride–graphene (h-NSHs) can be used for discriminate sensing of the 2,4-dinitrotoluene (DNT), octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX), pentaerythritol tetranitrate (PENT), and 2,4,6-trinitrotoluene (TNT) molecules. We demonstrate that as the length of the BN region increases, the sensitivity of the heteronanosheets to the presence of these explosive substances increases.Graphene–boron nitride–graphene (h-NSHs) heterostructures can be used for discriminate sensing of 2,4-dinitrotoluene (DNT), octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX), pentaerythritol tetranitrate (PENT), and 2,4,6-trinitrotoluene (TNT) molecules. |
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