Modification of the Atomic and Electronic Structures of Palladium as a Result of Hydrogen Dissolution

Статья в журнале

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.

Журнал:

• Physics of the Solid State
• Pleiades Publishing, Ltd. (Москва)
• Индексируется в Scopus

Библиографическая запись: Modification of the Atomic and Electronic Structures of Palladium as a Result of Hydrogen Dissolution [Electronic resource] / L.Y. Nemirovich-Danchenko [et al.] // Phys. Solid State. - 2021. – Vol. 63. – Iss. 8 . – P. 1267-1275. – DOI: 10.1134/S1063783421080217

Индексируется в:

• Scopus ( https://www.scopus.com/record/display.uri?eid=2-s2.0-85121469931&origin=resultslist&sort=plf-f )