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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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| Udgivet i: | ChemCatChem |
|---|---|
| Main Authors: | , , , , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
John Wiley and Sons Inc.
2016
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5094556/ https://ncbi.nlm.nih.gov/pubmed/27840663 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/cctc.201600644 |
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