Reaction Intermediates of CO Oxidation on Gas Phase Pd Clusters: A Density Functional Study.
The article focuses on a research about the structure and energetics of reaction intermediates in carbon monoxide (CO) oxidation by neutral and charged Pd. It states that scalar relativistic density functional theory (DFT) calculation was used in the study. It also cites three reaction pathways for...
| Publicado en: | Journal of the American Chemical Society Vol. 131; no. 37; pp. 13252 - 13255 |
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| Autores principales: | , |
| Formato: | Artículo |
| Publicado: |
American Chemical Society
9/23/2009
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| Materias: | |
| Acceso en línea: | Ver este registro en EBSCOhost |
| Sumario: | The article focuses on a research about the structure and energetics of reaction intermediates in carbon monoxide (CO) oxidation by neutral and charged Pd. It states that scalar relativistic density functional theory (DFT) calculation was used in the study. It also cites three reaction pathways for CO oxidation over Pd clusters. Results show that Pd and Pd clusters are better catalysts than Pd. |
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