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@ARTICLE{Gashnikova:626128,
      author       = {Gashnikova, Daria and Maurer, Florian and Bauer, Miriam R.
                      and Bernart, Sarah and Jelic, Jelena and Lützen, Mads and
                      Maliakkal, Carina B. and Dolcet, Paolo and Studt, Felix and
                      Kübel, Christian and Damsgaard, Christian D. and Casapu,
                      Maria and Grunwaldt, Jan-Dierk},
      title        = {{L}ifecycle of {P}d {C}lusters: {F}ollowing the {F}ormation
                      and {E}volution of {A}ctive {P}d {C}lusters on {C}eria
                      {D}uring {CO} {O}xidation by {I}n {S}itu/{O}perando
                      {C}haracterization {T}echniques},
      journal      = {ACS catalysis},
      volume       = {14},
      number       = {19},
      issn         = {2155-5435},
      address      = {Washington, DC},
      publisher    = {ACS},
      reportid     = {PUBDB-2025-01319},
      pages        = {14871 - 14886},
      year         = {2024},
      note         = {(DFG) through grant no. INST 40/575-1 FUGG (JUSTUS2, RVs
                      bw17D011).},
      abstract     = {For maximizing the atomic efficiency in noble metal-based
                      catalysts, dedicated preparation routes and high lifetime
                      are essential. Both aspects require an in-depth
                      understanding of the fate of noble metal atoms under
                      reaction conditions. For this purpose, we used a combination
                      of complementary in situ/operando characterization
                      techniques to follow the lifecycle of the Pd sites in a
                      $0.5\%$ $Pd/5\%$ CeO2–Al2O3 catalyst during oxygen-rich CO
                      oxidation. Time-resolved X-ray absorption spectroscopy
                      showed that Pd cluster formation under reaction conditions
                      is important for a high CO oxidation activity. In
                      combination with density functional theory calculations, we
                      concluded that the ideal Pd cluster size amounts to about
                      10–30 Pd atoms. The cluster formation and stability were
                      affected by the applied temperature and reaction conditions.
                      Already short pulses of 1000 ppm CO in the lean reaction
                      feed were found to trigger sintering of Pd at temperatures
                      below 200 °C, while at higher temperatures oxidation
                      processes prevailed. Environmental transmission electron
                      microscopy unraveled redispersion at higher temperatures
                      (400–500 °C) in oxygen atmosphere, leading to the
                      formation of single sites and thus the loss of activity.
                      However, due to the reductive nature of CO, clusters formed
                      again upon cooling in reaction atmosphere, thus closing the
                      catalytic cycle. Exploiting the gained knowledge on the
                      lifecycle of Pd clusters, we systematically investigated the
                      effect of catalyst composition on the cluster formation
                      tendency. As uncovered by DRIFTS measurements, the Pd to
                      CeO2 ratio seems to be a key descriptor for Pd agglomeration
                      under reaction conditions. While for higher Pd loadings, the
                      probability of cluster formation increased, a higher CeO2
                      content leads to the formation of oxidized dispersed Pd
                      species. According to our results, a Pd:CeO2 weight ratio of
                      1:10 for CeO2–Al2O3-supported catalysts leads to the
                      highest CO oxidation activity under lean conditions
                      independent of the applied synthesis method.},
      cin          = {FS DOOR-User},
      ddc          = {540},
      cid          = {$I:(DE-H253)FS_DOOR-User-20241023$},
      pnm          = {6G3 - PETRA III (DESY) (POF4-6G3) / SFB 1441 A03 -
                      Reaktivität und hochentwickelte Elektronenmikroskopie von
                      massenselektierten Clustern auf Oxidträgern (A03)
                      (446697387) / SFB 1441 B01 - Synthese und Charakterisierung
                      von Metalloxidträgern mit hoher Oberfläche (B01)
                      (446700158) / SFB 1441 B02 - Systematische Synthese und
                      katalytische Tests von definierten Edelmetallspezies auf
                      Pulverträgern (B02) (446700275) / SFB 1441 B03 - In
                      situ/operando-Charakterisierung von Edelmetallclustern und
                      Partikeln auf Metalloxiden unter Reaktionsbedingungen (B03)
                      (446701131) / SFB 1441 B04 - DFT-Gestützte Mikrokinetische
                      Modellierung der Oxidativen Beseitigung von Schadstoffen
                      (B04) (446701677) / DFG project G:(GEPRIS)460248799 -
                      DAPHNE4NFDI - DAten aus PHoton- und Neutronen Experimenten
                      für NFDI (460248799)},
      pid          = {G:(DE-HGF)POF4-6G3 / G:(GEPRIS)446697387 /
                      G:(GEPRIS)446700158 / G:(GEPRIS)446700275 /
                      G:(GEPRIS)446701131 / G:(GEPRIS)446701677 /
                      G:(GEPRIS)460248799},
      experiment   = {EXP:(DE-H253)P-P65-20150101},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:001325925200001},
      doi          = {10.1021/acscatal.4c02077},
      url          = {https://bib-pubdb1.desy.de/record/626128},
}