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Fizika Tverdogo Tela, 2021, Volume 63, Issue 8, Pages 1015–1023
DOI: https://doi.org/10.21883/FTT.2021.08.51147.059 (Mi ftt8057) 		 
This article is cited in 1 scientific paper (total in 1 paper)

Metals

Modification of the atomic and electronic structures of palladium as a result of the hydrogen dissolution

L. Yu. Nemirovich-Danchenkoab, O. V. Lopatinaa, L. A. Svyatkina, I. P. Chernova

a Tomsk Polytechnic University, Tomsk, Russia
b Tomsk State University of Control Systems and Radioelectronics, Tomsk, Russia
Full-text PDF (2291 kB) Citations (1)
DOI: https://doi.org/10.21883/FTT.2021.08.51147.059
Abstract: 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.
Keywords: hydrogen, palladium, binding energy, charge transfer, density of electron states.
Funding agency Grant number
Tomsk Polytechnic University
This work was performed within the Competitiveness Enhancement Program of Tomsk Polytechnic University.
Received: 23.03.2021
Revised: 05.04.2021
Accepted: 05.04.2021
English version:
Physics of the Solid State, 2021, Volume 63, Issue 8, Pages 1267–1275
DOI: https://doi.org/10.1134/S1063783421080217
Bibliographic databases:
Document Type: Article
Language: Russian
Citation: L. Yu. Nemirovich-Danchenko, O. V. Lopatina, L. A. Svyatkin, I. P. Chernov, “Modification of the atomic and electronic structures of palladium as a result of the hydrogen dissolution”, Fizika Tverdogo Tela, 63:8 (2021), 1015–1023; Phys. Solid State, 63:8 (2021), 1267–1275
Citation in format AMSBIB
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\by L.~Yu.~Nemirovich-Danchenko, O.~V.~Lopatina, L.~A.~Svyatkin, I.~P.~Chernov
\paper Modification of the atomic and electronic structures of palladium as a result of the hydrogen dissolution
\jour Fizika Tverdogo Tela
\yr 2021
\vol 63
\issue 8
\pages 1015--1023
\mathnet{http://mi.mathnet.ru/ftt8057}
\crossref{https://doi.org/10.21883/FTT.2021.08.51147.059}
\elib{https://elibrary.ru/item.asp?id=46345428}
\transl
\jour Phys. Solid State
\yr 2021
\vol 63
\issue 8
\pages 1267--1275
\crossref{https://doi.org/10.1134/S1063783421080217}
Linking options:
  • https://www.mathnet.ru/eng/ftt8057
  • https://www.mathnet.ru/eng/ftt/v63/i8/p1015
    • This publication is cited in the following 1 articles:
    1. V. A. Shutaev, V. G. Sidorov, E. A. Grebenshchikova, Yu. P. Yakovlev, “Current Generation in Pd/InP Structures in Hydrogen Medium”, Semiconductors, 58:4 (2024), 349  crossref
    Citing articles in Google Scholar: Russian citations, English citations
    Related articles in Google Scholar: Russian articles, English articles
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