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Partial or Complete Suppression of Hysteresis in Hydride Formation in Binary Alloys of Pd with Other Metals Научная публикация

Журнал Journal of Alloys and Compounds
ISSN: 0925-8388 , E-ISSN: 1873-4669
Вых. Данные Год: 2021, Том: 885, Номер статьи : 160956, Страниц : 9 DOI: 10.1016/j.jallcom.2021.160956
Ключевые слова Palladium; Binary alloys; Hydride; First-order phase transitions; Absorption isotherms
Авторы Mamatkulov Mikhail 1 , Zhdanov Vladimir P. 1,2
Организации
1 Boreskov Institute of Catalysis, Russian Academy of Sciences, Novosibirsk, Russia
2 Department of Physics, Chalmers University of Technology, Göteborg, Sweden

Информация о финансировании (2)

1 Российский научный фонд
FWF Austrian Science Fund
20-43-05002
2 Министерство науки и высшего образования Российской Федерации (с 15 мая 2018) 0239-2021-0011

Реферат: At temperatures below 600 K, the isotherms of hydrogen absorption by Pd exhibit hysteresis loops related to the first-order phase transition or, more specifically, to separation of a diluted phase and hydride. According to the experiments, addition of even small amount of the second metal, e.g. Au or Ta, can appreciably suppress hysteresis. This interesting effect is important in various applications, e.g., in the context of fabrication of efficient hydrogen sensors. To clarify its physical background, we present statistical calculations of the hydrogen absorption isotherms for a series of binary alloys of Pd with Mg, Cu, Ag, Ta, Pt, or Au by using the values of the H-metal interaction provided by the density functional theory (DFT). Aiming at the situations with small amount (≤15%) of the second metal, the metal atoms in an alloy are considered to be located at random or with short-range correlations. In the random alloy approximation, appreciable suppression of hysteresis is predicted for all the additives under consideration except Cu. Concerning the correlations, we show that the tendency of metals to mixing (as, e.g., predicted for the Pd–Au or Pd–Ta alloy) is in favour of additional suppression of hysteresis whereas the tendency to segregation (as, e.g., predicted for the Pd-Ag alloy) makes the hysteresis loops wider. For Au and Ta, our findings are in good agreement with available experimental data.
Библиографическая ссылка: Mamatkulov M. , Zhdanov V.P.
Partial or Complete Suppression of Hysteresis in Hydride Formation in Binary Alloys of Pd with Other Metals
Journal of Alloys and Compounds. 2021. V.885. 160956 :1-9. DOI: 10.1016/j.jallcom.2021.160956 WOS Scopus РИНЦ CAPlus OpenAlex
Файлы: Полный текст от издателя
Даты:
Поступила в редакцию: 2 мая 2021 г.
Принята к публикации: 22 июн. 2021 г.
Опубликована online: 25 июн. 2021 г.
Опубликована в печати: 10 дек. 2021 г.
Идентификаторы БД:
Web of science: WOS:000694711900004
Scopus: 2-s2.0-85110418607
РИНЦ: 46894252
Chemical Abstracts: 2021:1607226
OpenAlex: W3175598344
Цитирование в БД:
БД Цитирований
Scopus 13
Web of science 13
РИНЦ 11
OpenAlex 14
Альметрики: