| Autor: |
João P. C. S. Felix, Krys E. A. Batista, Wesley O. Morais, Glaucio R. Nagurniak, Renato P. Orenha, Celso R. C. Rêgo, Diego Guedes‐Sobrinho, Renato L. T. Parreira, Mateus M. Ferrer, Maurício J. Piotrowski |
| Rok vydání: |
2022 |
| Předmět: |
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| Zdroj: |
Journal of computational chemistryREFERENCES. |
| ISSN: |
1096-987X |
| Popis: |
Gold and silver subnanoclusters with few atoms are prominent candidates for catalysis-related applications, primarily because of the large fraction of lower-coordinated atoms exposed and ready to interact with external chemical species. However, an in-depth energetic analysis is necessary to characterize the relevant terms within the molecular adsorption process that can frame the interactions within the Sabatier principle. Herein, we investigate the interaction between Ag |
| Databáze: |
OpenAIRE |
| Externí odkaz: |
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