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@ARTICLE{Enyashin:201613,
      author       = {Enyashin, Andrey N. and Bar-Sadan, Maya and Houben, Lothar
                      and Seifert, Gotthard},
      title        = {{L}ine {D}efects in {M}olybdenum {D}isulfide {L}ayers},
      journal      = {The journal of physical chemistry / C},
      volume       = {117},
      number       = {20},
      issn         = {1932-7455},
      address      = {Washington, DC},
      publisher    = {Soc.},
      reportid     = {FZJ-2015-03907},
      pages        = {10842 - 10848},
      year         = {2013},
      abstract     = {Layered molecular materials and especially MoS2 are already
                      accepted as promising candidates for nanoelectronics. In
                      contrast to the bulk material, the observed electron
                      mobility in single-layer MoS2 is unexpectedly low. Here we
                      reveal the occurrence of intrinsic defects in MoS2 layers,
                      known as inversion domains, where the layer changes its
                      direction through a line defect. The line defects are
                      observed experimentally by atomic resolution TEM. The
                      structures were modeled and the stability and electronic
                      properties of the defects were calculated using
                      quantum-mechanical calculations based on the
                      Density-Functional Tight-Binding method. The results of
                      these calculations indicate the occurrence of new states
                      within the band gap of the semiconducting MoS2. The most
                      stable nonstoichiometric defect structures are observed
                      experimentally, one of which contains metallic Mo–Mo bonds
                      and another one bridging S atoms.},
      cin          = {PGI-5},
      ddc          = {540},
      cid          = {I:(DE-Juel1)PGI-5-20110106},
      pnm          = {42G - Peter Grünberg-Centre (PG-C) (POF2-42G41)},
      pid          = {G:(DE-HGF)POF2-42G41},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000319649400071},
      doi          = {10.1021/jp403976d},
      url          = {https://juser.fz-juelich.de/record/201613},
}