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@ARTICLE{Wang:910518,
      author       = {Wang, Jianjun and Tiwari, Avinash and Gao, Jie and Huang,
                      Yang and Jia, Yu and Persson, Bo},
      title        = {{D}ependency of sliding friction for two-dimensional
                      systems on electronegativity},
      journal      = {Physical review / B},
      volume       = {105},
      number       = {16},
      issn         = {1098-0121},
      address      = {Woodbury, NY},
      publisher    = {Inst.},
      reportid     = {FZJ-2022-03901},
      pages        = {165431},
      year         = {2022},
      abstract     = {We study the role of electronegativity in sliding friction
                      for five different two dimensional(2D) monolayer systems
                      using density functional theory (DFT) with van der Waals
                      (vdW)corrections. We show that the friction between the
                      commensurate 2D layered systems dependsstrongly on the
                      electronegativity difference of the involved atoms. All the
                      2D layered structuresexhibit almost the same magnitude of
                      friction force when sliding along the nonpolar
                      path,independent of the material and the surface structures.
                      In contrast, for sliding friction along thepolar path, the
                      friction force obeys a universal linear scaling law as a
                      function of theelectronegativity difference of its
                      constituent atoms. Further analyses demonstrate that
                      atomicdipoles in the 2D monolayers induced by the
                      electronegativity difference enhance the corrugation
                      ofcharge distribution and increase sliding barrier
                      accordingly. Our studies revealthat electronegativity plays
                      an important role in friction of low dimensional systems,
                      and willprovide a strategy for designing nanoscale devices
                      further.Keywords: Electronegativity; Friction;
                      Two-dimensional (2D) monolayer; Density functionaltheory
                      (DFT)},
      cin          = {IAS-1 / PGI-1 / JARA-HPC / JARA-FIT},
      ddc          = {530},
      cid          = {I:(DE-Juel1)IAS-1-20090406 / I:(DE-Juel1)PGI-1-20110106 /
                      $I:(DE-82)080012_20140620$ / $I:(DE-82)080009_20140620$},
      pnm          = {5211 - Topological Matter (POF4-521)},
      pid          = {G:(DE-HGF)POF4-5211},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000806812400001},
      doi          = {10.1103/PhysRevB.105.165431},
      url          = {https://juser.fz-juelich.de/record/910518},
}