A DFT Study of CO(2) Hydrogenation on Faujasite‐Supported Ir(4) Clusters: on the Role of Water for Selectivity Control

Reaction mechanisms for the catalytic hydrogenation of CO(2) by faujasite‐supported Ir(4) clusters were studied by periodic DFT calculations. The reaction can proceed through two alternative paths. The thermodynamically favoured path results in the reduction of CO(2) to CO, whereas the other, kineti...

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Detalles Bibliográficos
Autores principales: Szyja, Bartłomiej M., Smykowski, Daniel, Szczygieł, Jerzy, Hensen, Emiel J. M., Pidko, Evgeny A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2016
Materias:
Full Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5094556/
https://www.ncbi.nlm.nih.gov/pubmed/27840663
http://dx.doi.org/10.1002/cctc.201600644

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5094556/
https://www.ncbi.nlm.nih.gov/pubmed/27840663
http://dx.doi.org/10.1002/cctc.201600644

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