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@ARTICLE{Schulte:622772,
      author       = {Schulte, Mariam L. and Truttmann, Vera and Doronkin, Dmitry
                      E. and Baumgarten, Lorena and Nicolai, Alexander and
                      Beltran, Diego Alejandro Montalvo and Summ, Florian J. and
                      Kiener, Christoph and Warmuth, Lucas and Pitter, Stephan and
                      Saraçi, Erisa and Grunwaldt, Jan-Dierk},
      title        = {{M}onitoring the {F}ate of {Z}n in the
                      {C}u/{Z}n{O}/{Z}r{O}$_2$ {C}atalyst during
                      {CO}$_2$‐to‐{M}ethanol {S}ynthesis at {H}igh
                      {C}onversions by {O}perando {S}pectroscopy},
      journal      = {Angewandte Chemie / International edition},
      volume       = {64},
      number       = {15},
      issn         = {1433-7851},
      address      = {Weinheim},
      publisher    = {Wiley-VCH},
      reportid     = {PUBDB-2025-00466},
      pages        = {e202423281},
      year         = {2025},
      note         = {Supposed to be Open Access covered by Project Deal (after
                      corresponding author signs the publishing agreement).},
      abstract     = {In the frame of developing a sustainable chemical industry,
                      heterogeneously catalyzed CO$_2$ hydrogenation to methanol
                      has attracted considerable interest. However, the Cu-Zn
                      based catalyst system employed in this process is very
                      dynamic, especially in the presence of the products methanol
                      and water. Deactivation needs to be prevented, but its
                      origin and mechanism are hardly investigated at high
                      conversion where product condensation is possible. Here, we
                      report on the structural dynamics of a Cu/ZnO/ZrO$_2$
                      catalyst at 90 bar and 40\% CO$_2$ conversion (at
                      equilibrium conditions), investigated in a dedicated
                      metal-based spectroscopic cell specially fabricated using
                      additive manufacturing. This particular reactor
                      configuration aims to mimic the high CO$_2$ conversion part
                      of the catalyst bed and can induce product condensation,
                      which is monitored by operando X-ray absorption
                      spectroscopy. While Cu remained mostly stable throughout the
                      experiment, Zn underwent strong restructuring. The chosen
                      reaction conditions, including the use of CO$_2$ as carbon
                      source and in situ product condensation, were selected to
                      provide insights under industrial conditions. This work
                      highlights the importance of spectroscopic investigations at
                      high conversion levels, offering insights into chemical
                      transformations during deactivation, extending the concept
                      of spatially resolved studies, and thus providing guidance
                      for the design of more stable catalysts.},
      cin          = {FS DOOR-User},
      ddc          = {540},
      cid          = {$I:(DE-H253)FS_DOOR-User-20241023$},
      pnm          = {6G3 - PETRA III (DESY) (POF4-6G3) / FS-Proposal: I-20230260
                      (I-20230260) / DFG project G:(GEPRIS)460248799 - DAPHNE4NFDI
                      - DAten aus PHoton- und Neutronen Experimenten für NFDI
                      (460248799)},
      pid          = {G:(DE-HGF)POF4-6G3 / G:(DE-H253)I-20230260 /
                      G:(GEPRIS)460248799},
      experiment   = {EXP:(DE-H253)P-P65-20150101},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {pmid:39866096},
      UT           = {WOS:001421758200001},
      doi          = {10.1002/anie.202423281},
      url          = {https://bib-pubdb1.desy.de/record/622772},
}