Adsorption and transformations of ethene on hydrogenated rhodium clusters in faujasite-type zeolite. A computational study-Reference-Cited by-同舟云学术

Adsorption and transformations of ethene on hydrogenated rhodium clusters in faujasite-type zeolite. A computational study

Published:2016 Issue:6 Volume:6 Page:1726-1736
ISSN:2044-4753
Container-title:Catalysis Science & Technology
language:en
Short-container-title:Catal. Sci. Technol.

Author:

Markova Velina K.¹²³⁴,Vayssilov Georgi N.¹²³⁴,Genest Alexander⁵⁶⁷⁸,Rösch Notker⁵⁶⁷⁸⁹

Affiliation:

1. Faculty of Chemistry and Pharmacy

2. University of Sofia

3. 1126 Sofia

4. Bulgaria

5. Institute of High Performance Computing

6. Agency for Science, Technology and Research

7. Singapore 138632

8. Singapore

9. Department Chemie and Catalysis Research Center

Abstract

Phase diagrams from DFT modeling suggest that zeolite-supported Rh₄ clusters may be appropriate for the catalytic hydrogenation of ethene to ethane, whereas Rh₃ clusters favor the formation of the stable adsorbed ethylidyne species, preventing further hydrogenation.

Publisher

Royal Society of Chemistry (RSC)

Subject

Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2016/CY/C5CY01589H

Reference38 articles.

1. Catalytic Oxidation of Carbon Monoxide on Monodispersed Platinum Clusters: Each Atom Counts

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4. Zeolite-Supported Rhodium Complexes and Clusters: Switching Catalytic Selectivity by Controlling Structures of Essentially Molecular Species

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