Improving nanostructured supercapacitors through computational insight

该项目旨在了解纳米结构超级电容器的充电和放电机制，以指导更好的储能系统的开发。 这将通过使用具有不同纳米结构和化学成分的各种电极的超级电容器中的结构和扩散系数的分子计算来实现。 局部扩散系数的统计力学定义将提供关于电极附近不同区域中离子迁移率的重要信息。 关于纳米结构电极如何影响超级电容器功能的知识将允许储能系统的进步，这对我们未来的能源需求具有重要意义。

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.