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  Towards Experimental Handbooks in Catalysis

Trunschke, A., Bellini, G., Boniface, M., Carey, S., Dong, J., Erdem, E., et al. (2020). Towards Experimental Handbooks in Catalysis. Topics in Catalysis, 63(19-20), 1683-1699. doi:10.1007/s11244-020-01380-2.

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Trunschke2020_Article_TowardsExperimentalHandbooksIn.pdf (Publisher version), 4MB
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 Creators:
Trunschke, Annette1, Author              
Bellini, Giulia1, Author              
Boniface, Maxime1, Author              
Carey, Spencer1, Author              
Dong, Jinhu1, Author              
Erdem, Ezgi1, 2, Author              
Foppa, Lucas3, Author              
Frandsen, Wiebke1, Author              
Geske, Michael2, Author
Ghiringhelli, Luca M.3, Author              
Girgsdies, Frank1, Author              
Hanna, Rania1, Author              
Hashagen, Maike1, Author              
Hävecker, Michael1, 4, Author              
Huff, Gregory1, Author              
Knop-Gericke, Axel1, 4, Author              
Koch, Gregor1, Author              
Kraus, Peter1, Author              
Kröhnert, Jutta1, Author              
Kube, Pierre1, Author              
Lohr , Stephen5, AuthorLunkenbein, Thomas1, Author              Masliuk, Liudmyla1, Author              d’Alnoncourt, Raoul Naumann2, AuthorOmojola, Toyin1, Author              Pratsch, Christoph1, Author              Richter, Sven1, Author              Rohner, Christian1, Author              Rosowski, Frank5, AuthorRüther, Frederik2, AuthorScheffler, Matthias3, Author              Schlögl, Robert1, 4, Author              Tarasov, Andrey1, Author              Timpe, Olaf1, Author              Trunschke, Philipp6, AuthorWang, Yuanqing1, 2, Author              Wrabetz, Sabine1, Author               more..
Affiliations:
1Inorganic Chemistry, Fritz Haber Institute, Max Planck Society, ou_24023              
2UniCat-BASF Joint Lab, Technische Universität Berlin, Sekr. EW K 01, Hardenbergstraße 36, 10623 Berlin, Germany, ou_persistent22              
3NOMAD, Fritz Haber Institute, Max Planck Society, ou_3253022              
4Max-Planck-Institut für Chemische Energiekonversion, Stiftstr. 34-36, 45470 Mülheim, Germany, ou_persistent22              
5BASF SE, Process Research and Chemical Engineering, Heterogeneous Catalysis, Carl-Bosch-Straße 38, 67056 Ludwigshafen, Germany, ou_persistent22              
6Institut für Mathematik, Technische Universität Berlin, Sekretariat MA 5-3, Straße des 17, Juni 136, 10623 Berlin, Germany, ou_persistent22              

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 Abstract: The “Seven Pillars” of oxidation catalysis proposed by Robert K. Grasselli represent an early example of phenomenological descriptors in the field of heterogeneous catalysis. Major advances in the theoretical description of catalytic reactions have been achieved in recent years and new catalysts are predicted today by using computational methods. To tackle the immense complexity of high-performance systems in reactions where selectivity is a major issue, analysis of scientific data by artificial intelligence and data science provides new opportunities for achieving improved understanding. Modern data analytics require data of highest quality and sufficient diversity. Existing data, however, frequently do not comply with these constraints. Therefore, new concepts of data generation and management are needed. Herein we present a basic approach in defining best practice procedures of measuring consistent data sets in heterogeneous catalysis using “handbooks”. Selective oxidation of short-chain alkanes over mixed metal oxide catalysts was selected as an example.

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Language(s): eng - English
 Dates: 2020-09-192020-10-062020-12
 Publication Status: Published in print
 Pages: 17
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1007/s11244-020-01380-2
 Degree: -

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Title: Topics in Catalysis
  Other : Top. Catal.
Source Genre: Journal
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Publ. Info: New York : Springer
Pages: 17 Volume / Issue: 63 (19-20) Sequence Number: - Start / End Page: 1683 - 1699 Identifier: ISSN: 1022-5528
CoNE: https://pure.mpg.de/cone/journals/resource/954925584249