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@ARTICLE{Kakudate:825798,
      author       = {Kakudate, Toshiyuki and Tsukamoto, Shigeru and Kubo, Osamu
                      and Nakaya, Masato and Nakayama, Tomonobu},
      title        = {{E}lectronic {S}tructures of {Q}uaterthiophene and
                      {S}eptithiophene on {C}u(111): {S}patial {D}istribution of
                      {A}dsorption-{I}nduced {S}tates {S}tudied by {STM} and {DFT}
                      {C}alculation},
      journal      = {The journal of physical chemistry / C},
      volume       = {120},
      number       = {12},
      issn         = {1932-7455},
      address      = {Washington, DC},
      publisher    = {Soc.},
      reportid     = {FZJ-2017-00100},
      pages        = {6681 - 6688},
      year         = {2016},
      abstract     = {The oligothiophene molecule family has a tunable energy gap
                      between the highest occupied and lowest unoccupied molecular
                      orbitals (HOMO and LUMO) as the function of the number of
                      thiophene units. This tunability is of great use to
                      controlling carrier injection at the molecule/electrode
                      interface in molecule-based electronic devices. We
                      investigate quaterthiophene (4T) and septithiophene (7T)
                      molecules adsorbed on Cu(111) surfaces by scanning tunneling
                      microscopy and spectroscopy (STM and STS) at room
                      temperature. Both oligothiophene molecules form
                      one-dimensional (1D) chain structures on Cu(111), and each
                      molecule in the 1D structures is observed as a row of bright
                      ovals corresponding to thiophene units. Observed features of
                      4T and 7T molecules differ from those expected from the HOMO
                      and LUMO of the free-standing molecules, and
                      density-functional calculations of a 4T molecule together
                      with a Cu(111) surface reproduce the experimental STM images
                      as they reflect characteristic spatial distribution of
                      adsorption-induced states. In other words, the
                      adsorption-induced states are spatially protruding out from
                      the molecule and not completely localized in the space
                      between the molecule and the Cu(111) surface.},
      cin          = {IAS-1 / PGI-1 / JARA-FIT / JARA-HPC},
      ddc          = {540},
      cid          = {I:(DE-Juel1)IAS-1-20090406 / I:(DE-Juel1)PGI-1-20110106 /
                      $I:(DE-82)080009_20140620$ / $I:(DE-82)080012_20140620$},
      pnm          = {142 - Controlling Spin-Based Phenomena (POF3-142) / 143 -
                      Controlling Configuration-Based Phenomena (POF3-143)},
      pid          = {G:(DE-HGF)POF3-142 / G:(DE-HGF)POF3-143},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000373416500044},
      doi          = {10.1021/acs.jpcc.6b00566},
      url          = {https://juser.fz-juelich.de/record/825798},
}