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@ARTICLE{Reisz:904368,
      author       = {Reisz, Berthold and Empting, Eelco and Zwadlo, Matthias and
                      Hodas, Martin and Duva, Giuliano and Belova, Valentina and
                      Zeiser, Clemens and Hagenlocher, Jan and Maiti, Santanu and
                      Hinderhofer, Alexander and Gerlach, Alexander and Oettel,
                      Martin and Schreiber, Frank},
      title        = {{T}hin film growth of phase-separating
                      phthalocyanine-fullerene blends: {A} combined experimental
                      and computational study},
      journal      = {Physical review materials},
      volume       = {5},
      number       = {4},
      issn         = {2475-9953},
      address      = {College Park, MD},
      publisher    = {APS},
      reportid     = {FZJ-2021-05938},
      pages        = {045601},
      year         = {2021},
      abstract     = {Blended organic thin films have been studied during the
                      last decades due to their applicability in organic solar
                      cells. Although their optical and electronic features have
                      been examined intensively, there is still a lack of detailed
                      knowledge about their growth processes and resulting
                      morphologies, which play a key role in the efficiency of
                      optoelectronic devices such as organic solar cells. In this
                      study, pure and blended thin films of copper phthalocyanine
                      (CuPc) and the Buckminster fullerene (C60) were grown by
                      vacuum deposition onto a native silicon oxide substrate at
                      two different substrate temperatures, 310 and 400 K. The
                      evolution of roughness was followed by in situ real-time
                      x-ray reflectivity. Crystal orientation, island densities,
                      and morphology were examined after the growth by x-ray
                      diffraction experiments and microscopy techniques. The
                      formation of a smooth wetting layer followed by rapid
                      roughening was found in pure CuPc thin films, whereas C60
                      shows a fast formation of distinct islands at a very early
                      stage of growth. The growth of needlelike CuPc crystals
                      losing their alignment with the substrate was identified in
                      co-deposited thin films. Furthermore, the data demonstrate
                      that structural features become larger and more pronounced
                      and that the island density decreases by a factor of four
                      when going from 310 to 400 K. Finally, the key parameters
                      roughness and island density were well reproduced on a
                      smaller scale by kinetic Monte Carlo simulations of a
                      generic, binary lattice model with simple nearest-neighbor
                      interaction energies. A weak molecule-substrate interaction
                      caused a fast island formation and weak interaction between
                      molecules of different species was able to reproduce the
                      observed phase separation. The introduction of different
                      same-species and cross-species Ehrlich-Schwoebel barriers
                      for interlayer hopping was necessary to reproduce the
                      roughness evolution in the blend and showed the growth of
                      CuPc crystals on top of the thin film in agreement with the
                      experiment.},
      cin          = {JCNS-1 / IBI-8},
      ddc          = {530},
      cid          = {I:(DE-Juel1)JCNS-1-20110106 / I:(DE-Juel1)IBI-8-20200312},
      pnm          = {633 - Life Sciences – Building Blocks of Life: Structure
                      and Function (POF4-633) / 5251 - Multilevel Brain
                      Organization and Variability (POF4-525) / 5241 - Molecular
                      Information Processing in Cellular Systems (POF4-524) / 6G4
                      - Jülich Centre for Neutron Research (JCNS) (FZJ)
                      (POF4-6G4)},
      pid          = {G:(DE-HGF)POF4-633 / G:(DE-HGF)POF4-5251 /
                      G:(DE-HGF)POF4-5241 / G:(DE-HGF)POF4-6G4},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000655931600006},
      doi          = {10.1103/PhysRevMaterials.5.045601},
      url          = {https://juser.fz-juelich.de/record/904368},
}