Molecular understanding of charge storage and charging dynamics in supercapacitors with MOF electrodes and ionic liquid electrolytes
Name
S41563-019-0598-7.pdf
Description
Accepted version
Size
1.88 MB
Format
Adobe PDF
Checksum (MD5)
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Author(s)
Bi, Sheng
Banda, Harish
Chen, Ming
Niu, Liang
Chen, Mingyu
Wu, Taizheng
Wang, Jiasheng
Wang, Runxi
Feng, Jiamao
Chen, Tianyang
Date Issued
February 2020
Journal
Nature Materials
Publisher
Springer Science and Business Media LLC
Citation
Bi, Sheng et al. "Molecular understanding of charge storage and charging dynamics in supercapacitors with MOF electrodes and ionic liquid electrolytes." Nature Materials 19, 5 (February 2020): 552–558. © 2020 The Author(s)
Version
Author's final manuscript
Abstract
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 polarized porous MOFs, and then predicts the corresponding potential-dependent capacitance in characteristic shapes. The transmission line model was adopted to characterize the charging dynamics, which further allowed evaluation of the capacitive performance of this class of supercapacitors at the macroscale from the simulation-obtained data at the nanoscale. These ‘computational microscopy’ results were supported by macroscopic electrochemical measurements. Such a combined nanoscale-to-macroscale investigation demonstrates the potential of MOF supercapacitors for achieving unprecedentedly high volumetric energy and power densities. It gives molecular insights into preferred structures of MOFs for accomplishing consistent performance with optimal energy–power balance, providing a blueprint for future characterization and design of these new supercapacitor systems.
MIT Department
Massachusetts Institute of Technology. Department of Chemistry
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Article is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use.
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DOI of Published Version
https://doi.org/10.1038/s41563-019-0598-7
