Features of the Reaction of the CO Molecule with a Platinum Atom and Its Diatomic Cluster |
| |
| Authors: | M. M. Goncharenko V. V. Lobanov P. E. Strizhak |
| |
| Affiliation: | (1) L. V. Pisarzhevskii Institute of Physical Chemistry, National Academy of Sciences of Ukraine, Prospekt Nauky 31, 03028 Kyiv, Ukraine;(2) Institute of Surface Chemistry, National Academy of Sciences of Ukraine, Vul. Generala Naumova 17, 03164 Kyiv, Ukraine |
| |
| Abstract: | The potential energy profile of the Pt⋯CO and Pt2⋯CO systems was calculated within the formalism of density functional theory. It was shown that bonding in these systems is only achieved after a triplet-singlet transition, which is unusual for the interaction of a CO molecule with the surface of a platinum crystal. __________ Translated from Teoreticheskaya i Eksperimental'naya Khimiya, Vol. 41, No. 5, pp. 278–282, September–October, 2005. |
| |
| Keywords: | nanoparticles quantum-chemical calculations platinum CO oxidation |
| 本文献已被 SpringerLink 等数据库收录！ |
|
