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@ARTICLE{Zhang:877283,
      author       = {Zhang, Siyuan and Hajiyani, Hamidreza and Hufnagel,
                      Alexander G. and Kampmann, Jonathan and Breitbach, Benjamin
                      and Bein, Thomas and Fattakhova, Dina and Pentcheva,
                      Rossitza and Scheu, Christina},
      title        = {{S}n-{D}oped {H}ematite for {P}hotoelectrochemical {W}ater
                      {S}plitting: {T}he {E}ffect of {S}n {C}oncentration},
      journal      = {Zeitschrift für physikalische Chemie},
      volume       = {234},
      number       = {4},
      issn         = {2196-7156},
      address      = {Berlin},
      publisher    = {De Gruyter},
      reportid     = {FZJ-2020-02106},
      pages        = {683 - 698},
      year         = {2020},
      abstract     = {Hematite-based photoanodes have been intensively studied
                      for photoelectrochemical water oxidation. The n-type dopant
                      Sn has been shown to benefit the activity of hematite
                      anodes. We demonstrate in this study that Sn-doped hematite
                      thin films grown by atomic layer deposition can achieve
                      uniform doping across the film thickness up to at least 32
                      $mol\%,$ far exceeding the equilibrium solubility limit of
                      less than 1 $mol\%.$ On the other hand, with the
                      introduction of Sn doping, the hematite crystallite size
                      decreases and many twin boundaries form in the film, which
                      may contribute to the low photocurrent observed in these
                      films. Density functional theory calculations with a Hubbard
                      U term show that Sn doping has multiple effects on the
                      hematite properties. With increasing Sn4+ content, the Fe2+
                      concentration increases, leading to a reduction of the band
                      gap and finally to a metallic state. This goes hand in hand
                      with an increase of the lattice constant.},
      cin          = {IEK-1},
      ddc          = {540},
      cid          = {I:(DE-Juel1)IEK-1-20101013},
      pnm          = {131 - Electrochemical Storage (POF3-131)},
      pid          = {G:(DE-HGF)POF3-131},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000528279600008},
      doi          = {10.1515/zpch-2019-1482},
      url          = {https://juser.fz-juelich.de/record/877283},
}