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  Systematic Exploration of a Multi-Promoter Catalyst Composition Space with Limited Experiments: Non-Oxidative Propane Dehydrogenation to Propylene

Kunkel, C., Rüther, F., Felsen, F., Pare, C. W. P., Terzi, A., Baumgarten, R., et al. (2024). Systematic Exploration of a Multi-Promoter Catalyst Composition Space with Limited Experiments: Non-Oxidative Propane Dehydrogenation to Propylene. ACS Catalysis, 14(11), 9008-9017. doi:10.1021/acscatal.4c01740.

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 Urheber:
Kunkel, Christian1, Autor                 
Rüther, Frederik, Autor
Felsen, Frederic1, Autor                 
Pare, Charles W. P.1, Autor
Terzi, Aybike, Autor
Baumgarten, Robert, Autor
Gioria, Esteban, Autor
d’Alnoncourt, Raoul Naumann, Autor
Scheurer, Christoph1, Autor           
Rosowski, Frank, Autor
Reuter, Karsten1, Autor                 
Affiliations:
1Theory, Fritz Haber Institute, Max Planck Society, ou_634547              

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 Zusammenfassung: Promoters are indispensable for the optimized performance and lifetime of industrial catalysts. Present-day systems nevertheless benefit only from a small number of different promoters, identified and often only locally optimized in laborious empirical research. Here, we present an accelerated discovery approach that globally explores a multipromoter design space with only limited experiments. Cornerstones are an efficient iterative design-of-experiment (DoE) planning of the measurements and a throughput maximization through a parallelized testing protocol. With less than 100 experiments conducted within weeks, we identify a competitive promoter chemistry for the nonoxidative propane dehydrogenation to propylene over alumina-supported Pt. This discovery rests on an achieved deep understanding of the positive and negative actions of multiple promoters on the reaction yield and deactivation. The iterative DoE strategy successively querying batches of experiments proves to be a powerful general concept for data-efficient hypothesis validation and insight-based adaptation of design spaces.

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Sprache(n): eng - English
 Datum: 2024-03-212024-05-172024-05-292024-06-07
 Publikationsstatus: Erschienen
 Seiten: 10
 Ort, Verlag, Ausgabe: -
 Inhaltsverzeichnis: -
 Art der Begutachtung: Expertenbegutachtung
 Identifikatoren: DOI: 10.1021/acscatal.4c01740
 Art des Abschluß: -

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Titel: ACS Catalysis
  Kurztitel : ACS Catal.
Genre der Quelle: Zeitschrift
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Ort, Verlag, Ausgabe: Washington, DC : ACS
Seiten: 10 Band / Heft: 14 (11) Artikelnummer: - Start- / Endseite: 9008 - 9017 Identifikator: ISSN: 2155-5435
CoNE: https://pure.mpg.de/cone/journals/resource/2155-5435