Abstract
The general overarching goals of this project are twofold: to enhance the performance of supercapacitors by optimizing their electrolytes, and to improve their electrodes by employing classical and quantum molecular dynamics techniques. For electrolyte optimization, the project will investigate aqueous and organic electrolytes containing Li-TFSI, Li-PF6, Na-PF6, Na-TFSI, and TEA-BF4. Amon…