INFLUENCE OF HALOGEN NATURE ON THE ADSORPTION ABILITY OF ARYL HALIDES ON PALLADIUM CLUSTERS
In this paper, the density functional theory calculations were carried out in order to find the adsorption energies of a benzene ring on small Pd0 clusters consisting of four or nine atoms. The adsorption of benzene on palladium clusters was found to result in a noticeable energy gain of the system:...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | Russian |
| Published: |
Tver State University
2021-12-01
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| Series: | Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов |
| Subjects: | |
| Online Access: | https://physchemaspects.ru/2021/doi-10-26456-pcascnn-2021-13-646/?lang=en |