Modification of the Atomic and Electronic Structures of Palladium as a Result of Hydrogen Dissolution = Модификация атомной и электронной структур палладия в результате растворения водорода / L. Yu. Nemirovich-Danchenko, O. V. Snitsireva, L. A. Svyatkin, I. P. Chernov
Уровень набора: Physics of the Solid StateЯзык: английский.Резюме или реферат: 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..Примечания о наличии в документе библиографии/указателя: [References: 40 tit.].Аудитория: .Тематика: электронный ресурс | труды учёных ТПУ | hydrogen | palladium | binding energy | charge transfer | density of electronic states | водород | палладий | энергия связи | передача импульсов Ресурсы он-лайн:Щелкните здесь для доступа в онлайнНет реальных экземпляров для этой записи
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[References: 40 tit.]
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.
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