Modification of the Atomic and Electronic Structures of Palladium as a Result of Hydrogen Dissolution
| Parent link: | Physics of the Solid State Vol. 63, iss. 8.— 2021.— [P. 1267-1275] |
|---|---|
| Coauteur: | |
| Andere auteurs: | , , , |
| Samenvatting: | Title screen The features of changes in the atomic and electronic structures of palladium as a result of hydrogen dissolution are studied from the first principles. The binding energy of hydrogen in palladium is shown to behave irregularly: it increases as the hydrogen concentration x = H/Pd increases to 0.75 and then it decreases taking negative values at hydrogen concentrations x higher than 1.5. It is found that, as a result of hydrogen dissolution in palladium, a charge transfer from Pd atoms to H atoms is observed. This charge transfer value increases with the hydrogen saturation of palladium. Режим доступа: по договору с организацией-держателем ресурса |
| Gepubliceerd in: |
2021
|
| Onderwerpen: | |
| Online toegang: | https://doi.org/10.1134/S1063783421080217 |
| Formaat: | Elektronisch Hoofdstuk |
| KOHA link: | https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=668061 |