Computer Simulations on Nanocrystals

Nanocrystals show many intriguing physical and chemical properties, which depend on their structures, morphologies and surface properties. Our research project focuses on investigating the morphological and structural evolution of nanocrystals and heterostructural nanocrystal by molecular simulations and HRTEM. Classical molecular simulations and the first principles calculations are used to reveal the mechanism of the phenomena observed under the microscopes.


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