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@ARTICLE{Wrana:841275,
      author       = {Wrana, D. and Rodenbücher, C. and Krawiec, M. and Jany, B.
                      R. and Rysz, J. and Ermrich, M. and Szot, K. and Krok, F.},
      title        = {{T}uning the surface structure and conductivity of
                      niobium-doped rutile {T}i{O} 2 single crystals via thermal
                      reduction},
      journal      = {Physical chemistry, chemical physics},
      volume       = {19},
      number       = {45},
      issn         = {1463-9084},
      address      = {Cambridge},
      publisher    = {RSC Publ.},
      reportid     = {FZJ-2017-08367},
      pages        = {30339 - 30350},
      year         = {2017},
      abstract     = {We report on the systematic exploration of electronic and
                      structural changes of Nb-doped rutile TiO2(110) single
                      crystal surfaces due to the thermoreduction under ultra-high
                      vacuum conditions (without sputtering), with comparison to
                      undoped TiO2(110) crystals. It has been found that the
                      surface of the doped sample undergoes a previously unknown
                      transition during reduction above 850 °C, as provided by
                      LEED, STM and LC-AFM. This transition involves a change from
                      heterogeneous conductivity (due to the presence of
                      conducting filaments) to homogeneous conductivity, connected
                      with a new (4 × 2) reconstruction of rows parallel to the
                      [001] direction. DFT calculations suggest substitution of Ti
                      by Nb atoms in the first atomic layer. Due to the strong
                      reducing conditions during annealing, oxygen is released
                      from the crystal and Nb diffuses from the subsurface into
                      the bulk, agglomerating however on the surface, as shown by
                      SIMS depth profiling. We present that $0.5\%$ Nb doping
                      significantly influences the reduction process and in turn
                      the structural properties of the surface by supporting the
                      evolution of the new reconstruction. It is shown that the
                      thermal treatment of TiO2:Nb under low oxygen partial
                      pressure gives an opportunity to tune the electrical
                      conductivity and work function of the surface.},
      cin          = {PGI-7 / JARA-FIT},
      ddc          = {540},
      cid          = {I:(DE-Juel1)PGI-7-20110106 / $I:(DE-82)080009_20140620$},
      pnm          = {521 - Controlling Electron Charge-Based Phenomena
                      (POF3-521)},
      pid          = {G:(DE-HGF)POF3-521},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {pmid:28936525},
      UT           = {WOS:000416054400005},
      doi          = {10.1039/C7CP03136J},
      url          = {https://juser.fz-juelich.de/record/841275},
}