Improving nanostructured supercapacitors through computational insight

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This project aims to understand the mechanism of charge and discharge in nanostructured supercapacitors to guide in the development of better energy storage systems. This will be achieved using molecular computations of the structure and diffusion coefficients in supercapacitors with various electrodes of different nanostructure and chemical composition. A statistical mechanical definition of the local diffusion coefficient will provide important information on the mobility of ions in different regions near the electrodes. Knowledge on how nanostructured electrodes affect supercapacitor function will allow advances in energy storage systems that are of great significance for our future energy needs.