TURLI YUZALARDA PERILEN PRENUKLEATSIYASINING ILK BOSQICHLARI
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Sirtlarda nukleatsiyaoldi bosqichi sifatida perilen klasterlanishini tushunish organik elektronika uchun muhim ahamiyatga ega. Ushbu ishda turli xil sirtlarning perilenning dastlabki tartiblanishiga qanday ta’sir ko‘rsatishi o‘rganiladi. Perilenning Si(100){2×1}, Ni(111) va Ni(331) sirtlarida adsorbsiyasi va klasterlanishini tadqiq qilish uchun LAMMPS dasturiy paketi va ReaxFF potensiali asosida molekulyar dinamika (MD) usuli qo‘llanildi. Natijalar shuni ko‘rsatdiki, perilenning adsorbsiyasi sirt turiga qarab sezilarli darajada farq qiladi: Si(100) sirtida qatorlar bo‘ylab tekis joylashish, Ni(111) sirtida planar (yassi) konfiguratsiya va Ni(331) sirtida turli xil orientatsiyalar kuzatildi. Sirt tuzilishiga bog’liq bo’lgan adsorbsiya rejimlari perilenning nukleatsiyaoldi bosqichiga ta’sir ko‘rsatadi. Tadqiqot sirt tuzilishining perilen nanokristallari o‘sishidagi nukleatsiyaoldi jarayonini aniqlashdagi hal qiluvchi rolini alohida ta’kidlab, organik nanostrukturalarni samarali dizayn qilish uchun fundamental asos yaratadi
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