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Towards Experimental Handbooks in Catalysis

Title data

Trunschke, Annette ; Bellini, Giulia ; Boniface, Maxime ; Carey, Spencer J. ; Dong, Jinhu ; Erdem, Ezgi ; Foppa, Lucas ; Frandsen, Wiebke ; Geske, Michael ; Ghiringhelli, Luca M. ; Girgsdies, Frank ; Hanna, Rania ; Hashagen, Maike ; Hävecker, Michael ; Huff, Gregory ; Knop-Gericke, Axel ; Koch, Gregor ; Kraus, Peter ; Kröhnert, Jutta ; Kube, Pierre ; Lohr, Stephen ; Lunkenbein, Thomas ; Masliuk, Liudmyla ; Naumann d'Alnoncourt, Raoul ; Omojola, Toyin ; Pratsch, Christoph ; Richter, Sven ; Rohner, Christian ; Rosowski, Frank ; Rüther, Frederik ; Scheffler, Matthias ; Schlögl, Robert ; Tarasov, Andrey ; Teschner, Detre ; Timpe, Olaf ; Trunschke, Philipp ; Wang, Yuanqing ; Wrabetz, Sabine:
Towards Experimental Handbooks in Catalysis.
In: Topics in Catalysis. Vol. 63 (2020) . - pp. 1683-1699.
ISSN 1572-9028
DOI: https://doi.org/10.1007/s11244-020-01380-2

Abstract in another language

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.

Further data

Item Type: Article in a journal
Refereed: Yes
Additional notes: WOS:000575740600001
Institutions of the University: Faculties > Faculty of Biology, Chemistry and Earth Sciences > Department of Chemistry
Faculties
Faculties > Faculty of Biology, Chemistry and Earth Sciences
Faculties > Faculty of Biology, Chemistry and Earth Sciences > Department of Chemistry > Chair Operando-Analytics of Electrochemical Energy Storage > Chair Operando-Analytics of Electrochemical Energy Storage - Univ.-Prof. Dr. Thomas Lunkenbein
Faculties > Faculty of Biology, Chemistry and Earth Sciences > Department of Chemistry > Chair Operando-Analytics of Electrochemical Energy Storage
Result of work at the UBT: No
DDC Subjects: 500 Science > 540 Chemistry
Date Deposited: 13 Jun 2025 07:04
Last Modified: 04 Jul 2025 11:32
URI: https://eref.uni-bayreuth.de/id/eprint/93697