Multiscale modelling of supercapacitors with hierarchical structure
Year: 2025
Type: article
Abstract: Structural supercapacitors (SSCs) are a class of multifunctional composites that simultaneously provide load-carrying and energy storage capacities. This paper presents a physics-based continuum multiscale electrochemical model aimed at understanding the influence of design decisions on the electrochemical performance of mechanically robust supercapacitors (SCs). The approach was exemplified by considering carbon aerogel-modified carbon fibre-reinforced multifunctional electrodes in a room-temperature ionic liquid (RTIL) electrolyte. The new pseudo 4D (P4D) multiscale model integrates a 3D macroscopic dynamic model to solve the charge transport while coupling a 1D microscopic equilibrium electric double layer (EDL) model to determine the local voltage-dependent double layer capacitance of the porous structural electrode. The numerical model was evaluated to simulate the conventional electrochemical device characterisation methods: cyclic voltammetry, galvanostatic charging and discharging, and electrochemical impedance spectroscopy. The predicted specific energy, power and capacitance of a symmetric full cell exhibited an error of less than 30% compared to previous experimental results. Additionally, an asymmetrical electrochemical behaviour was predicted on the symmetric cell, exhibiting an unbalanced potential window and capacitance at the negative and positive electrodes. Overall, the proposed P4D multiscale electrochemical model provides a powerful tool for analysing, developing, and optimising SSCs and more general SCs with porous electrodes.
Source: Journal of Power Sources
Authors: Shimeng Qian, Emily Cheng, Odysseas Kakarelidis, Sang Nguyen, Milo.S.P. Shaffer, Anthony.R.J. Kucernak, Ajit Panesar, Emile S. Greenhalgh
Institution: Imperial College London
Language: English
Field: Materials Science
Domain: Physical Sciences
Open Access status: hybrid
Estimated APC paid: $4,230
OpenAlex ID: W7108347771