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Paper   IPM / Nano-Sciences / 16049
School of Nano Science
  Title:   Charge transport in a molecule-borophene junction: The effect of junction configurations
  Author(s): 
1.  H. Khalatbari
2.  Sahar Izadi
3.  H. Rahimpour Soleimani
  Status:   Published
  Journal: Phys. Lett. A
  Year:  2020
  Pages:   126341
  Publisher(s):   Elsevier. B. V
  Supported by:  IPM
  Abstract:
Using the non-equilibrium Green's function formalism and density functional theory, we have performed a theoretical investigation of the electronic transport properties of borophene/B12N12 cage/borophene system in two armchair configurations (A1 and A2) and one zigzag configuration (A3). In fact, the successful preparation of borophene sheets and also its high electrical conductivity prompted our team to investigate the properties of this structure as electrodes in junction with B12N12 cage. The results show that the considered configurations have distinctly different transport behaviors under bias voltages. Also, the I-V curve follow the pattern A2>A3>A1. These results show that the borophene/B12N12 cage/borophene system at A2 configuration is a suitable candidate for electronics applications.

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