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@ARTICLE{Guo:1025381,
      author       = {Guo, Junnan and Dai, Xinyue and Zhang, Lishu and Li, Hui},
      title        = {{E}lectron {T}ransport {P}roperties of {G}raphene/{WS}2
                      {V}an {D}er {W}aals {H}eterojunctions},
      journal      = {Molecules},
      volume       = {28},
      number       = {19},
      issn         = {1420-3049},
      address      = {Basel},
      publisher    = {MDPI},
      reportid     = {FZJ-2024-02844},
      pages        = {6866 -},
      year         = {2023},
      abstract     = {Van der Waals heterojunctions of two-dimensional atomic
                      crystals are widely used to build functional devices due to
                      their excellent optoelectronic properties, which are
                      attracting more and more attention, and various methods have
                      been developed to study their structure and properties.
                      Here, density functional theory combined with the
                      nonequilibrium Green’s function technique has been used to
                      calculate the transport properties of graphene/WS2
                      heterojunctions. It is observed that the formation of
                      heterojunctions does not lead to the opening of the Dirac
                      point of graphene. Instead, the respective band structures
                      of both graphene and WS2 are preserved. Therefore, the
                      heterojunction follows a unique Ohm’s law at low bias
                      voltages, despite the presence of a certain rotation angle
                      between the two surfaces within the heterojunction. The
                      transmission spectra, the density of states, and the
                      transmission eigenstate are used to investigate the origin
                      and mechanism of unique linear I–V characteristics. This
                      study provides a theoretical framework for designing
                      mixed-dimensional heterojunction nanoelectronic devices.},
      cin          = {PGI-1 / IAS-1},
      ddc          = {540},
      cid          = {I:(DE-Juel1)PGI-1-20110106 / I:(DE-Juel1)IAS-1-20090406},
      pnm          = {5211 - Topological Matter (POF4-521)},
      pid          = {G:(DE-HGF)POF4-5211},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {37836709},
      UT           = {WOS:001094712300001},
      doi          = {10.3390/molecules28196866},
      url          = {https://juser.fz-juelich.de/record/1025381},
}