Study and Modeling of Graphene-Boron-Nitride Heterostructures
Keywords: Band gap, Boron-Nitride, Graphene, Interface, Molecular Junction, NEGF, Two probe system.
AbstractWhen we talk about nano devices, the molecule and its interface with electrodes play a key role. So, one of the major objectives is to select an organic nanomaterial with extensive applications, which requires smart synthesis of appropriate materials and an understanding of their properties. Here we modeled a device, which not only adds another “protuberance” to learn about the transport properties of the molecule but also helps in grasping its use as a considerable material for future flexible electronics. Modeling of materials at the nano-level not only provides fundamental insight into the properties of crystalline defects but also gives a reasonable understanding of phase stability and learning of processes like atomic diffusion interface migration. For the development of devices at a mesoscopic and macroscopic level and with atomistic input parameters, this recognition serves as a guide. We tried to model how the layers of one type of molecule and the interaction of two different types of molecular layers control the junction charge transport characteristics.
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