Molecular dynamics investigation of charging process in polyelectrolyte-based supercapacitors

• Published in: Scientific reports Vol. 12; no. 1; p. 1098
• Main Authors: Eyvazi, Nasrin, Biagooi, Morad, Nedaaee Oskoee, SeyedEhsan
• Format: Journal Article
• Language: English
• Published: London Nature Publishing Group UK 20.01.2022; Nature Publishing Group; Nature Portfolio
• Subjects: 639/4077; 639/638; 639/766; Capacitance; Electrolytes; Energy storage; Humanities and Social Sciences; Investigations; Molecular dynamics; multidisciplinary; Polymers; Science; Science (multidisciplinary)
• ISSN: 2045-2322; 2045-2322
• DOI: 10.1038/s41598-022-04837-4

Supercapacitors are one of the technologically impressive types of energy storage devices that are supposed to fill the gap between chemical batteries and dielectric capacitors in terms of power and energy density. Many kinds of materials have been investigated to be used as supercapacitors’ electrolytes to overcome the known limitations of them. The properties of polymer-based electrolytes show a promising way to defeat some of these limitations. In this paper, a simplified model of polymer-based electrolytes between two electrodes is numerically investigated using the Molecular Dynamics simulation. The simulations are conducted for three different Bjerrum lengths and a typical range of applied voltages. The results showed a higher differential capacitance compared to the cases using ionic-liquid electrolytes. Our investigations indicate a rich domain in molecular behaviors of polymer-based electrolytes that should be considered in future supercapacitors.