Vakuumdagi Ni va NiO nanozarralarining agregatsiya mexanizmlari
Annotatsiya
Eksperimental qurilmalar o’lchash imkoniyatlarining cheklangani nanozarralar agregatsiya jarayonlarini to’liq tushunishni murakkablashtirmoqda. Ayniqsa, Ni/NiO kabi nanokompozitlarining hosil bo’lishi va komposit nisbiy tarkibini nazorat qilish uchun ularning agregatsiya mexanizmlarini o’rganish dolzarbligicha qolmoqda. Shu jihatdan ushbu maqolada Ni va NiO nanoklasterlarining agregatsiya mexanizmlarini o’rganish uchun reaktiv molekulyar dinamika modellashtirishlaridan foydalanilgan. Natijalar shuni ko’rsatdiki, kislorod atomlari agregatsiya jarayoniga sezilarli ta’sir ko’rsatadi. Xususan, kislorod atomlari hisobiga NiO nanoklasterining barqarorligi yuqori bo’lib, kislorod atomlari NiO nanoklasteridagi nikel atomlarining boshqa nanoklaster atomlari bilan bog’lanishlar darajasini kamaytiradi. Natijada, Ni nanoklasterlari agregatsiya tufayli o’zaro kimyoviy bog’ hosil qilgan holda barqarorlashishga intilsada, NiO nanoklasterlari zaif Van der Vaals kuchlari orqali agregatsiyaga kirishishga harakat qiladi. Umuman olganda, ushbu tadqiqot Ni va NiO nanoklasterlarining agregatsiya jarayonini atomar darajada yaxshiroq tushunishga yordam berib, kerakli xususiyatga ega metal/metal oksidi nanokompozitlarini ishlab chiqishga qaratilgan kelajak tadqiqotlari uchun muhim ahamiyat kasb etadi.
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Copyright (c) 2024 Ф.М. Сафаров (Автор); Ф.Х. Хайдаров, K.Б. Эгамбердиев, Т.А. Ахмаджанов, У.Б. Халилов (Переводчик)
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