| 1. |
- Trunschke, Annette, et al.
(författare)
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Towards Experimental Handbooks in Catalysis
- 2020
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Ingår i: Topics in Catalysis. - : Springer Science and Business Media LLC. - 1572-9028 .- 1022-5528. ; 63:19-20, s. 1683-1699
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Tidskriftsartikel (refereegranskat)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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| 2. |
- Campbell, Charles, et al.
(författare)
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Catalyst design from theory to practice: general discussion
- 2016
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Ingår i: Faraday Discussions. - 1359-6640 .- 1364-5498. ; 188, s. 279-307
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Tidskriftsartikel (övrigt vetenskapligt/konstnärligt)abstract
- Hans-Joachim Freund opened the discussion of the paper by Alberto Roldan:How is the atomic hydrogen produced on the greigite surface? In the paper (DOI:10.1039/C5FD00186B) there is no comment whether you studied dissociatehydrogen adsorption.
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| 3. |
- Le, Ha V., et al.
(författare)
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Stepwise conversion of methane to methanol on Cu and Fe/zeolites prepared in solid state: the effect of zeolite type and activation temperature
- 2023
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Ingår i: Journal of Chemical Technology and Biotechnology. - : Wiley. - 1097-4660 .- 0268-2575. ; 98:11, s. 2716-2725
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Tidskriftsartikel (refereegranskat)abstract
- BACKGROUND: Grand efforts have been recently devoted to the development of catalysts based on the excellent performance of Cu- and Fe-dependent enzymes in methanotrophic bacteria for the partial oxidation of methane to methanol under ambient conditions. As a continuation of the study on the stepwise manner for this conversion over zeolite-based catalysts, in this work, the effects of zeolite topology and activation temperature on the catalytic performance of Cu- and Fe-containing zeolites were investigated. RESULTS: Cu species exchanged in the medium-pore zeolites (mordenite, ZSM-5, and ferrierite) afforded better methanol production, while large-pore zeolites (zeolite β and zeolite γ) were inappropriate to accommodate active Cu sites. Notably, Cu/silicalite-1 containing CuO species was also reactive to methane after the activation in O2, yielding a minor methanol amount. Furthermore, the activity of Fe/mordenite towards the methanol in the O2-assisted procedure was reported for the first time but with a much lower yield as compared to that of Cu/mordenite. The methanol yield over Cu/mordenite increased with the activation temperature because increasing the activation temperature favored the Cu-exchange degree with a higher priority at the side pockets as compared to the main channels of mordenite, as evidenced from infrared analysis. CONCLUSION: The selective oxidation of methane to methanol by O2 via a stepwise manner can be obtained over both ion-exchanged Cu species and well-dispersed CuO nanoparticles with better activity being recorded for the former. The activity of Cu-exchanged zeolites was considerably dependent on the zeolite topology and the charge-balancing position of the Cu2+ cations.
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| 4. |
- Wagner, Jakob, et al.
(författare)
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Surface texturing of Mo-V-Te-Nb-O-x selective oxidation catalysts
- 2006
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Ingår i: Topics in Catalysis. - : Springer Science and Business Media LLC. - 1572-9028 .- 1022-5528. ; 38:1-3, s. 51-58
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Tidskriftsartikel (refereegranskat)abstract
- The paper concentrates on the study of Mo-V-Te-Nb oxide mixtures by electron microscopy combined with catalytic investigation of these materials in the partial oxidation of propane. Surface texturing of catalyst particles composed of two phases referred to in the literature as M1 and M2 is revealed by high-resolution transmission electron microscopy of high performing catalysts. The chemical composition of the catalyst surface is modified by treatment in water to obtain a significant increment in yield of acrylic acid. A chemical realization of the site isolation concept recurring on a supramolecular arrangement of catalyst and reactant rather than on atomic site isolation is suggested. A complex Mo-V-Te-Nb-O (x) precursor phase carries nanoparticles made from a network of oxoclusters active as catalyst for the conversion of propane to acrylic acid. The designed synthesis of the multi-element oxide bulk and of the surface structure with a different composition than the precursor phase improved the performance by a factor of 4.
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