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

Bibliographische Detailangaben
Parent link:Physics of the Solid State
Vol. 63, iss. 8.— 2021.— [P. 1267-1275]
Körperschaft: Национальный исследовательский Томский политехнический университет Инженерная школа ядерных технологий Отделение экспериментальной физики
Weitere Verfasser: Nemirovich-Danchenko L. Yu. Lubov Yur'evna, Snitsireva O. V. Oksana Valerievna, Svyatkin L. A. Leonid Aleksandrovich, Chernov I. P. Ivan Petrovich
Zusammenfassung: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
Sprache:Englisch
Veröffentlicht: 2021
Schlagworte:
Online-Zugang:https://doi.org/10.1134/S1063783421080217
Format: Elektronisch Buchkapitel
KOHA link:https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=668061

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200 1 |a Modification of the Atomic and Electronic Structures of Palladium as a Result of Hydrogen Dissolution  |d Модификация атомной и электронной структур палладия в результате растворения водорода  |f L. Yu. Nemirovich-Danchenko, O. V. Snitsireva, L. A. Svyatkin, I. P. Chernov 
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330 |a 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. 
333 |a Режим доступа: по договору с организацией-держателем ресурса 
461 |t Physics of the Solid State 
463 |t Vol. 63, iss. 8  |v [P. 1267-1275]  |d 2021 
510 1 |a Модификация атомной и электронной структур палладия в результате растворения водорода  |z rus 
610 1 |a электронный ресурс 
610 1 |a труды учёных ТПУ 
610 1 |a hydrogen 
610 1 |a palladium 
610 1 |a binding energy 
610 1 |a charge transfer 
610 1 |a density of electronic states 
610 1 |a водород 
610 1 |a палладий 
610 1 |a энергия связи 
610 1 |a передача импульсов 
701 1 |a Nemirovich-Danchenko  |b L. Yu.  |c physicist  |c Senior Lecturer of Tomsk Polytechnic University  |f 1981-  |g Lubov Yur'evna  |3 (RuTPU)RU\TPU\pers\33577  |9 17236 
701 1 |a Snitsireva  |b O. V.  |c physicist  |c Head of Laboratory, Associate Professor of Tomsk Polytechnic University, Candidate of Physical and Mathematical Sciences  |f 1979-  |g Oksana Valerievna  |3 (RuTPU)RU\TPU\pers\47241 
701 1 |a Svyatkin  |b L. A.  |c physicist  |c Associate Professor of Tomsk Polytechnic University, Candidate of Physical and Mathematical Sciences  |f 1988-  |g Leonid Aleksandrovich  |3 (RuTPU)RU\TPU\pers\34216  |9 17747 
701 1 |a Chernov  |b I. P.  |c Doctor of Physical and Mathematical Sciences (DSc), Professor of the Department of General Physics of Tomsk Polytechnic University (TPU)  |f 1935-  |g Ivan Petrovich  |3 (RuTPU)RU\TPU\pers\30202  |9 14596 
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