Towards Experimental Handbooks in Catalysis
Artikel i vetenskaplig tidskrift, 2020
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.
Data science
Machine learning
Artificial intelligence
Best practice
Rigorous protocols
Descriptor
Standard operation procedure
Författare
Annette Trunschke
Max-Planck-Gesellschaft
Guilia Bellini
Max-Planck-Gesellschaft
Maxime Boniface
Max-Planck-Gesellschaft
Spencer Carey
Max-Planck-Gesellschaft
Jinhu Dong
Max-Planck-Gesellschaft
Ezgi Erdem
Technische Universität Berlin
Max-Planck-Gesellschaft
Lucas Foppa
Max-Planck-Gesellschaft
Wiebke Frandsen
Max-Planck-Gesellschaft
Michael Geske
Technische Universität Berlin
Luca Ghiringhelli
Max-Planck-Gesellschaft
Frank Girgsdies
Max-Planck-Gesellschaft
Rania Hanna
Max-Planck-Gesellschaft
Maike Hashagen
Max-Planck-Gesellschaft
M. Havecker
Max-Planck-Gesellschaft
Gregory Huff
Max-Planck-Gesellschaft
Axel Knop-Gericke
Max-Planck-Gesellschaft
Gregor Koch
Max-Planck-Gesellschaft
Peter Kraus
Max-Planck-Gesellschaft
Jutta Kröhnert
Max-Planck-Gesellschaft
Pierre Kube
Max-Planck-Gesellschaft
Stephen Lohr
BASF SE, Process Research and Chemical Engineering, Heterogeneous Catalysis
Thomas Lunkenbein
Max-Planck-Gesellschaft
Liudmyla Masliuk
Max-Planck-Gesellschaft
Raoul Naumann d'Alnoncourt
Technische Universität Berlin
Oluwatoyin Omojola
Max-Planck-Gesellschaft
Christoph Pratsch
Max-Planck-Gesellschaft
Sven Richter
Max-Planck-Gesellschaft
Christian Rohner
Max-Planck-Gesellschaft
Frank Rosowski
BASF SE, Process Research and Chemical Engineering, Heterogeneous Catalysis
Frederik Rüther
Technische Universität Berlin
Matthias Scheffler
Max-Planck-Gesellschaft
Robert Schlögl
Max-Planck-Gesellschaft
Andrey Tarasov
Max-Planck-Gesellschaft
Olaf Timpe
Max-Planck-Gesellschaft
Philipp Trunschke
Technische Universität Berlin
Yuanqing Wang
Max-Planck-Gesellschaft
Sabine Wrabetz
Max-Planck-Gesellschaft
Topics in Catalysis
1022-5528 (ISSN) 1572-9028 (eISSN)
Vol. 63 19-20 1683-1699Ämneskategorier (SSIF 2011)
Fysikalisk kemi
Kemiteknik
Materialkemi
Teoretisk kemi
Datavetenskap (datalogi)
DOI
10.1007/s11244-020-01380-2