Modification of the Atomic and Electronic Structures of Palladium as a Result of Hydrogen Dissolution

Modification of the Atomic and Electronic Structures of Palladium as a Result of Hydrogen Dissolution

書誌詳細
Parent link:	Physics of the Solid State Vol. 63, iss. 8.— 2021.— [P. 1267-1275]
団体著者:	Национальный исследовательский Томский политехнический университет Инженерная школа ядерных технологий Отделение экспериментальной физики
その他の著者:	Nemirovich-Danchenko L. Yu. Lubov Yur'evna, Snitsireva O. V. Oksana Valerievna, Svyatkin L. A. Leonid Aleksandrovich, Chernov I. P. Ivan Petrovich
要約:	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
出版事項:	2021
主題:	электронный ресурс труды учёных ТПУ hydrogen palladium binding energy charge transfer density of electronic states водород палладий энергия связи передача импульсов
オンライン･アクセス:	https://doi.org/10.1134/S1063783421080217
フォーマット:	電子媒体図書の章
KOHA link:	https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=668061

インターネット

https://doi.org/10.1134/S1063783421080217