Випуски $\rightarrow$ Том 27, випуск 2 (2026)

Наноінкапсуляція перехідних металів гібридним матеріялом на основі нітриду Бору: майбутні тенденції адсорбції водню для накопичення енергії

МОЛЛААМІН Ф., МОНАЙДЖЕМІ М.

Університет Кастамону, 37150 Кастамону, Туреччина

Отримано / остаточна версія: 30.01.2026 / 05.06.2026 Завантажити PDF logo PDF

Анотація
Досліджується збільшення накопичення водню шляхом леґування Cr, Ni, Zn, Mo, Pd, Cd на нанокомірки нітриду Бору (BN). На основі аналізи ядрового квадрупольного резонансу (ЯКР) Ni та Pd з атомовими зарядами у 0,2658 Кл і 0,3266 Кл на комплексах Ni@BN і Pd@BN відповідно продемонстровано набагато більшу схильність до адсорбції H2, ніж іншими комплексами. Результати спектроскопії ядрового магнетного резонансу (ЯМР) показали, що ефективність приймання електронів для імплантації атомів на [Cr, Ni, Zn, Mo, Pd, Cd]@BN шляхом адсорбції H2 можна впорядкувати так: Ni > Pd >> Cr > Mo ≈ Zn > Cd. Щодо термодинамічних властивостей, то для Гідроґенових вузлів у молекулах H2 щільності гетерокластерів декорованих елементів Cr, Ni, Zn, Mo, Pd, Cd можна представити такими комплексами: Ni@BN > Pd@BN >> Cr@BN > Mo@BN ≈ Zn@BN > Cd@BN. Окрім того, адсорбцію водню на гетерокластері BN, леґованому перехідними металами, було оцінено за допомогою аналізи повної густини станів (TDOS), парціяльної густини станів (PDOS), парціяльної густини станів з перекриттям (OPDOS) й аналізи локалізованого орбітального локатора (LOL). Стверджується, що імплантований перехідним металом BN може бути використаний для розробки нових матеріялів для адсорбції та сенсорів H2.

Ключові слова: зберігання водню, нанокомірка нітриду Бору, леґування, ТФГ.

DOI: https://doi.org/10.15407/ufm.27.02.***

Citation: F. Mollaamin and M. Monajjemi, Nanoencapsulation of Transition Metals by Boron Nitride-Based Hybrid Material: Future Trends of Hydrogen Adsorption towards Energy Storage, Progress in Physics of Metals, 27, No. 2: ***–*** (2026)

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