Bibliographic Details
| Parent link: | Radiation Physics and Chemistry of Inorganic Materials: 12 th International Conference, September 23-27, 2003 Tomsk, Russia/ Tomsk Polytechnic University; отв. за вып. Д. Б. Чепин. Р. 523-527.— , 2003 |
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| Main Author: |
Чернов И. П. Иван Петрович |
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| Other Authors: |
Тюрин Ю. И. Юрий Иванович,
Коротеев Ю. М. Юрий Михайлович |
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| Summary: | First-principle self-consistent density-functional band-structure calculations using a linearized augmented plane-vawe (LAPW) method for palladium and the stoichiometric PdH compound have been performed. It has been shown that the presence of hydrogen atoms in an interstitial region of a palladium crystal results in the significant change of the host crystal electronic structure which consists in an appearance of the S0H-dPd bonding and antibonding states. We have put forward a hypothesis that in the case of an irradiation the electronic transitions between these states can lead to weaking of the SH-dPd bonds and an enhancement of the hydrogen atoms mobility. |
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| Published: |
2003
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| Subjects: | |
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| Format: | Book Chapter
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| KOHA link: | https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=228045 |
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