Abstract

Supercapacitors (EDLCs) have emerged as a potential energy storage device due to their advanced electrochemical properties. During the last few decades, researchers have searched for ways to optimize the electrochemical performance of the supercapacitors through the development of novel electrode materials and cell design. Molecular simulation techniques and density functional theory are really helpful in design the EDL structure and explore energy storage mechanism, when combined with experimental validation. This chapter summarizes the basic theories involved in modeling of SCs and various modeling techniques such as the electrochemical model, equivalent circuit model, intelligent model, transmission line model, fractional-order model, simplified analytical model, and thermal model, as well as important simulation techniques.

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