Modification of the Atomic and Electronic Structures of Palladium as a Result of Hydrogen Dissolution; Physics of the Solid State; Vol. 63, iss. 8

Modification of the Atomic and Electronic Structures of Palladium as a Result of Hydrogen Dissolution; Physics of the Solid State; Vol. 63, iss. 8

Dettagli Bibliografici
Parent link:Physics of the Solid State
Vol. 63, iss. 8.— 2021.— [P. 1267-1275]
Ente Autore: Национальный исследовательский Томский политехнический университет Инженерная школа ядерных технологий Отделение экспериментальной физики
Altri autori: Nemirovich-Danchenko L. Yu. Lubov Yur'evna, Snitsireva O. V. Oksana Valerievna, Svyatkin L. A. Leonid Aleksandrovich, Chernov I. P. Ivan Petrovich
Riassunto: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
Lingua:inglese
Pubblicazione: 2021
Soggetti:
электронный ресурс
труды учёных ТПУ
hydrogen
palladium
binding energy
charge transfer
density of electronic states
водород
палладий
энергия связи
передача импульсов
Accesso online:https://doi.org/10.1134/S1063783421080217
Natura: Elettronico Capitolo di libro
KOHA link:https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=668061

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