The Study Of Electron Transport By Using First-principles With BN Doped Graphene Nanoribbons

In recent years, more and more microelectronic devices have been investigated through the development of unique properties of matter at the nanoscale, including nanostructures, molecules, and quantum dots. Also, lots of interesting physical properties, for example, rectifying behaviors, negative differential resistance, and switching effects, have been investigated in molecular devices.We investigate the electronic transport properties of triangular graphene systems with atoms B, N or both of them vertex doped based on non-equilibrium Green's function approach combined with density functional theory. Interestingly, fine rectifying behavior and obvious negative differential resistance are observed in B–N vertex doped case. The origin of the rectification is that a barrier likes a p–n junction has been formed in B–N vertex doped junction. Moreover, weak interaction is considered by adjusting the distance between the two intermediate atoms. With the increase of the distance between them, the rectifying behavior and negative differential resistance weaken step by step. Our structure constructed by B–N vertex doped triangular graphene to realize fine rectification is constructive and is a promising candidate for the next generation nanoscale device.We investigate the electronic transport properties of graphene systems with BN mix doped based with same width on non-equilibrium Green's function approach combined with density functional theory. Interestingly, fine rectifying behavior are observed in BN mix doped with the increasing number of doping atoms and its specific locations. The origin of the rectification is that a barrier likes a pn junction has been formed in BN mix doped junction. Moreover, with the increasing number of doping atoms, the rectifying behavior became more significantly. With the increase of the number of them and the specific location, the rectifying behavior changes regularly. Our structure constructed by BN mix doped triangular graphene to realize fine rectification is constructive and is a promising candidate for the next generation nanoscale device.