Модификация атомной и электронной структур палладия в результате растворения водорода | Zendy

Л.Ю. Немирович-Данченко | Zendy; О.В. Лопатина | Zendy; Л.А. Святкин | Zendy; И.П. Чернов | Zendy

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Модификация атомной и электронной структур палладия в результате растворения водорода

Author(s) -

Л.Ю. Немирович-Данченко,

О.В. Лопатина,

Л.А. Святкин,

И.П. Чернов

Publication year - 2021

Publication title -

физика твердого тела

Language(s) - English

Resource type - Journals

eISSN - 1726-7498

pISSN - 0367-3294

DOI - 10.21883/ftt.2021.08.51147.059

Subject(s) - palladium , hydrogen , dissolution , chemistry , binding energy , palladium hydride , hydrogen atom , inorganic chemistry , analytical chemistry (journal) , materials science , atomic physics , catalysis , organic chemistry , group (periodic table) , physics

The results of a first-principle study of the features of changes in the atomic and electron structures of palladium as a result of hydrogen dissolution are presented. It is shown that the binding energy of hydrogen in palladium behaves irregularly: with an increase in the hydrogen concentration x = H/Pd up to 0.75, it increases and then decreases, taking negative values at hydrogen concentrations x over 1.5. It was found that, as a result of the dissolution of hydrogen in palladium, charge transfer is observed from Pd atoms to H atoms. The magnitude of this charge transfer increases as palladium becomes saturated by hydrogen.

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