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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.
Bd. 63
(2020)
.
- S. 1683-1699.
ISSN 1572-9028
DOI: https://doi.org/10.1007/s11244-020-01380-2
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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| Publikationsform: | Artikel in einer Zeitschrift |
|---|---|
| Begutachteter Beitrag: | Ja |
| Zusätzliche Informationen: | WOS:000575740600001 |
| Institutionen der Universität: | Fakultäten > Fakultät für Biologie, Chemie und Geowissenschaften > Fachgruppe Chemie |
| Titel an der UBT entstanden: | Nein |
| Themengebiete aus DDC: | 500 Naturwissenschaften und Mathematik > 540 Chemie |
| Eingestellt am: | 13 Jun 2025 07:04 |
| Letzte Änderung: | 13 Jun 2025 07:04 |
| URI: | https://eref.uni-bayreuth.de/id/eprint/93697 |