Investigating the energy storage mechanism of modified PEDOT:PSS for enhanced electrochemical performance

Abstract

In this study, first principles calculations are performed to investigate the relevant energy storage mechanisms of PEDOT:PSS membranes and WO3/MnO2. The calculation results indicate that the modified PEDOT:PSS reduces the interaction force between cation and inorganic material lattice, weakens the adsorption energy, and accelerates the electrochemical reaction kinetics. Simultaneously, the prepared composite material exhibits a higher state density and more energy orbitals. The cations of the electrolyte can be stored in the s and p orbitals of the material, leading to significant hybridization of electron clouds in these orbitals and improving the conductivity of the material. Based on the above calculation results, a WO3/MnO2 self-healing electrochromic energy storage device is prepared. The device has a high specific capacitance (10.81 mF cm−2) and excellent cycle retention performance (97% retention rate after 1000 cycles), which ensures its efficient energy storage and reliable durability. Furthermore, the device has the self-healing capability to restore most of its functions even in the event of damage, ensuring its long-term utilization.