МЕХАНИЗМЫ АГРЕГАЦИИ МОНОДИСПЕРСНЫХ НАНОКЛАСТЕРОВ NiO
Изучение механизмов агрегации нанокатализаторов важно для контроля размера нанокатализаторов в различных средах.
Несмотря на то, что процессы агрегации наночастиц NiO в той или иной степени изучены в идеальных средах, т.е. в газе
и водных растворах, механизмы их взаимодействия между водными средами и нанокластерами до конца не изучены. В
данной работе влияние окружающей среды на процесс агрегации нанокластеров NiO размером около 1 нм изучалось с
помощью молекулярно-динамического моделирования. Полученные результаты показывают, что (1) нанокластеры
располагаются на большем расстоянии друг от друга в водной среде по сравнению с вакуумом за счет
гидродинамической оболочки (толщиной 0,08 нм), формирующейся вокруг наноагрегатов NiO под воздействием водной
среды, и ( 2) устойчивость нанокластеров NiO в водной среде снижается в результате образования гидродинамической
оболочки. Результаты нашего исследования показывают, что лучшее понимание настройки размера нанокатализатора
приведет к селективному синтезу наноматериалов с уникальными свойствами, которые являются основой
нанотехнологии.
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