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@ARTICLE{Husler:891165,
      author       = {Häusler, Johannes and Pasel, Joachim and Woltmann,
                      Friederike and Everwand, Andreas and Meledina, Maria and
                      Valencia, Helen and Lipińska-Chwałek, Marta and Mayer,
                      Joachim and Peters, Ralf},
      title        = {{E}lucidating the {I}nfluence of the d-{B}and {C}enter on
                      the {S}ynthesis of {I}sobutanol},
      journal      = {Catalysts},
      volume       = {11},
      number       = {3},
      issn         = {2073-4344},
      address      = {Basel},
      publisher    = {MDPI},
      reportid     = {FZJ-2021-01403},
      pages        = {406 -},
      year         = {2021},
      abstract     = {As the search for carbon-efficient synthesis pathways for
                      green alternatives to fossil fuels continues, an expanding
                      class of catalysts have been developed for the upgrading of
                      lower alcohols. Understanding of the acid base
                      functionalities has greatly influenced the search for new
                      materials, but the influence of the metal used in catalysts
                      cannot be explained in a broader sense. We address this
                      herein and correlate our findings with the most fundamental
                      understanding of chemistry to date by applying it to d-band
                      theory as part of an experimental investigation. The
                      commercial catalysts of Pt, Rh, Ru, Cu, Pd, and Ir on carbon
                      as a support have been characterized by means of SEM,
                      EDX-mapping, STEM, XRD, N2-physisorption, and
                      H2-chemisorption. Their catalytic activity has been
                      established by means of c-methylation of ethanol with
                      methanol. For all catalysts, the TOF with respect to
                      i-butanol was examined. The Pt/C reached the highest TOF
                      with a selectivity towards i-butanol of $89\%.$ The trend
                      for the TOFs could be well correlated with the d-band
                      centers of the metal, which formed a volcano curve.
                      Therefore, this study is another step towards the
                      rationalization of catalyst design for the upgrading of
                      alcohols into carbon-neutral fuels or chemical feedstock.},
      cin          = {IEK-14 / ER-C-2},
      ddc          = {540},
      cid          = {I:(DE-Juel1)IEK-14-20191129 / I:(DE-Juel1)ER-C-2-20170209},
      pnm          = {535 - Materials Information Discovery (POF4-535) / 1232 -
                      Power-based Fuels and Chemicals (POF4-123)},
      pid          = {G:(DE-HGF)POF4-535 / G:(DE-HGF)POF4-1232},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000633475500001},
      doi          = {10.3390/catal11030406},
      url          = {https://juser.fz-juelich.de/record/891165},
}