Algharagholy Laith A, Al-Galiby Qusiy H, Al-Backri Amaal A, Sadeghi Hatef, Wabdan Ahmed A
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.
RSC Adv. 2022 Dec 7;12(54):35151-35157. doi: 10.1039/d2ra06125b. eCollection 2022 Dec 6.
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.
自从石墨烯-氮化硼异质结构合成以来，其有趣的电子特性在实际纳米器件应用中引起了极大关注。在这项工作中，我们将密度泛函理论（DFT）与格林函数方法相结合，以研究石墨烯-氮化硼-石墨烯异质纳米片（h-NSHs）用于单分子传感识别的潜力。我们的结果表明，石墨烯-氮化硼-石墨烯（h-NSHs）可用于鉴别2,4-二硝基甲苯（DNT）、八氢-1,3,5,7-四硝基-1,3,5,7-四氮杂环辛烷（HMX）、季戊四醇四硝酸酯（PENT）和2,4,6-三硝基甲苯（TNT）分子。我们证明，随着BN区域长度的增加，异质纳米片对这些爆炸物存在的敏感度增加。
