Surface Composition of High-Entropy Metallic Alloy Nanoparticles Научная публикация
| Журнал |
Computational Materials Science
ISSN: 0927-0256 |
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| Вых. Данные | Год: 2026, Том: 264, Номер статьи : 114483, Страниц : 10 DOI: 10.1016/j.commatsci.2026.114483 | ||
| Ключевые слова | High-entropy alloy; Nanoparticles; Statistical model; Distribution of atoms; Temperature; Size | ||
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| Организации |
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Информация о финансировании (1)
| 1 | Министерство науки и высшего образования Российской Федерации (с 15 мая 2018) | FWUR-2024-0032 |
Реферат:
The studies of multi-component high-entropy metallic alloy nanoparticles (HEMANPs) are now in the formative period. To extend the corresponding basis, I analyse HEMANPs containing typical catalytic metals. Scrutinizing some relevant DFT and experimental data, I show that in this case the surface composition is determined primarily by the surface energy which can be expressed via one quarter of the metal sublimation energies whereas the details of the metal–metal interactions inside HEMANPs are less important and often can be ignored. With this validation, I propose an exactly solvable analytical statistical model allowing one to easily identify general trends in the difference of the compositions inside and at the surface of such NPs. The metals with relatively low sublimation energy are predicted to dominate at the surface. For example, this conclusion is illustrated focusing on HEMANPs composed of seven metals, Ag, Au, Cu, Pd, Pt, Rh, and Ru. The role of temperature and NP size is shown in detail in this context for various fractions of these metals.
Библиографическая ссылка:
Zhdanov V.P.
Surface Composition of High-Entropy Metallic Alloy Nanoparticles
Computational Materials Science. 2026. V.264. 114483 :1-10. DOI: 10.1016/j.commatsci.2026.114483 WOS Scopus CAPlus OpenAlex
Surface Composition of High-Entropy Metallic Alloy Nanoparticles
Computational Materials Science. 2026. V.264. 114483 :1-10. DOI: 10.1016/j.commatsci.2026.114483 WOS Scopus CAPlus OpenAlex
Даты:
| Поступила в редакцию: | 15 сент. 2025 г. |
| Принята к публикации: | 2 янв. 2026 г. |
| Опубликована online: | 4 янв. 2026 г. |
| Опубликована в печати: | 1 окт. 2026 г. |
Идентификаторы БД:
| Web of science: | WOS:001659951600001 |
| Scopus: | 2-s2.0-105026564047 |
| Chemical Abstracts: | 2026:68656 |
| OpenAlex: | W7118127490 |
Цитирование в БД:
| БД | Цитирований |
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| Scopus | Нет цитирований |
| OpenAlex | Нет цитирований |