Molecular understanding of charge storage and charging dynamics in supercapacitors with MOF electrodes and ionic liquid electrolytes

• Published in: Nature materials Vol. 19; no. 5; pp. 552 - 558
• Main Authors: Bi, Sheng, Banda, Harish, Chen, Ming, Niu, Liang, Chen, Mingyu, Wu, Taizheng, Wang, Jiasheng, Wang, Runxi, Feng, Jiamao, Chen, Tianyang, Dincă, Mircea, Kornyshev, Alexei A., Feng, Guang
• Format: Journal Article
• Language: English
• Published: London Nature Publishing Group UK 01.05.2020; Nature Publishing Group
• Subjects: 639/301/1034; 639/301/299; 639/301/357; 639/638/161; 639/638/440; Biomaterials; Charging; Chemistry and Materials Science; Computer simulation; Condensed Matter Physics; Electrochemical analysis; Electrochemistry; Electrodes; Electrolytes; Ionic liquids; Ions; Materials Science; Metal-organic frameworks; Molecular dynamics; Nanotechnology; Optical and Electronic Materials; Simulation; Supercapacitors; Transmission lines

We performed constant-potential molecular dynamics simulations to analyse the double-layer structure and capacitive performance of supercapacitors composed of conductive metal–organic framework (MOF) electrodes and ionic liquids. The molecular modelling clarifies how ions transport and reside inside...