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  Ca–Ag compounds in ethylene epoxidation reaction

Antonyshyn, I., Sichevych, O., Ormeci, A., Burkhardt, U., Rasim, K., Titlbach, S., et al. (2019). Ca–Ag compounds in ethylene epoxidation reaction. Science and Technology of Advanced Materials, 20(1), 902-916. doi:10.1080/14686996.2019.1655664.

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Item Permalink: http://hdl.handle.net/21.11116/0000-0005-1BDC-6 Version Permalink: http://hdl.handle.net/21.11116/0000-0005-1BDE-4
Genre: Journal Article

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 Creators:
Antonyshyn, Iryna1, Author              
Sichevych, Olga2, Author              
Ormeci, Alim2, Author              
Burkhardt, Ulrich3, Author              
Rasim, Karsten2, Author              
Titlbach, Sven4, Author
Armbrüster, Marc4, Author
Schunk, Stephan A.4, Author
Grin, Yuri5, Author              
Affiliations:
1Iryna Antonyshyn, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863412              
2Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863405              
3Ulrich Burkhardt, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863422              
4External Organizations, ou_persistent22              
5Juri Grin, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863413              

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Free keywords: 106 Metallic materials, 205 Catalyst / Photocatalyst / Photosynthesis, 301 Chemical syntheses / processing, 401 1st principle calculations, 503 TEM, STEM, SEM, 60 New topics / Others, chemical bonding, crystal structure, ethylene epoxidation, ethylene oxide, heterogeneous catalysis, Intermetallic compound, reactivity
 Abstract: The ethylene epoxidation is a challenging catalytic process, and development of active and selective catalyst requires profound understanding of its chemical behaviour under reaction conditions. The systematic study on intermetallic compounds in the Ca–Ag system under ethylene epoxidation conditions clearly shows that the character of the oxidation processes on the surface originates from the atomic interactions in the pristine compound. The Ag-rich compounds Ca2Ag7 and CaAg2 undergo oxidation towards fcc Ag and a complex Ca-based support, whereas equiatomic CaAg and the Ca-rich compounds Ca5Ag3 and Ca3Ag in bulk remain stable under harsh ethylene epoxidation conditions. For the latter presence of water vapour in the gas stream leads to noticeable corrosion. Combining the experimental results with the chemical bonding analysis and first-principles calculations, the relationships among the chemical nature of the compounds, their reactivity and catalytic performance towards epoxidation of ethylene are investigated. © 2019, © 2019 The Author(s). Published by National Institute for Materials Science in partnership with Taylor & Francis Group.

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Language(s): eng - English
 Dates: 2019-09-012019-09-01
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Method: -
 Identifiers: DOI: 10.1080/14686996.2019.1655664
 Degree: -

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Title: Science and Technology of Advanced Materials
  Abbreviation : Sci. Technol. Adv. Mater.
Source Genre: Journal
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Publ. Info: Bristol : IoPP
Pages: - Volume / Issue: 20 (1) Sequence Number: - Start / End Page: 902 - 916 Identifier: ISSN: 1878-5514
CoNE: https://pure.mpg.de/cone/journals/resource/974392605051