C70 FULLEREN MOLEKULASI YUZASIDA NIKEL EKZOATOMLARINING MIGRATSIYASI XUSUSIYATLARI
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Ushbu ishda molekulyar dinamika usuli yordamida C₇₀ fullereni sirtida nikel ekzoatomining harorat ta’sirida migratsiyalanish jarayoni o‘rganildi. Natijalar shuni ko‘rsatadiki, harorat oshishi bilan Ni atomining sirt bo‘ylab harakatchanligi kuchayadi, biroq u uglerod karkasi bilan o‘zaro bog‘langan holatini saqlab qoladi. Migratsiya jarayoni C₇₀ fullerenining ekvatorial sohasiga nisbatan qutbiy sohasida osonroq faollashishi aniqlandi. Bu holat C₇₀ strukturasining anizotrop geometriyasi, turli lokal egriliklari va ekvivalent bo‘lmagan adsorbsiya markazlari bilan izohlanadi. Eng yaqin Ni–C masofasining o‘rtacha qiymati 2.246 Å bo‘lib, bu butun modellashtirish davomida barqaror Ni–C o‘zaro ta’siri mavjudligini tasdiqlaydi.
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