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(Reference retrieved automatically from Web of Science through information on FAPESP grant and its corresponding number as mentioned in the publication by the authors.)

Comparing the performance of sulfonium and phosphonium ionic liquids as electrolytes for supercapacitors by molecular dynamics simulations

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Author(s):
Sampaio, Abner Massari [1] ; Lemos Pereira, Guilherme Ferreira [1] ; Salanne, Mathieu [2, 3] ; Amaral Siqueira, Leonardo Jose [1]
Total Authors: 4
Affiliation:
[1] Univ Fed Sao Paulo, Inst Ciencias Ambientais Quim & Farmaceut, Dept Quim, Lab Mat Hibridos, Rua Sao Nicolau 210, BR-09913030 Diadema, SP - Brazil
[2] Sorbonne Univ, Physicochim Electrolytes & Nanosyst Interfaciaux, CNRS, F-75005 Paris - France
[3] FR CNRS 3459, Reseau Stockage Electrochim Energie RS2E, F-80039 Amiens - France
Total Affiliations: 3
Document type: Journal article
Source: Electrochimica Acta; v. 364, DEC 20 2020.
Web of Science Citations: 0
Abstract

Ionic liquids (ILs) are generally considered good candidates for supercapacitors electrolytes due to their wide electrochemical windows (EW), which results in high energy densities. Yet they generally offer poor power delivery compared to the conventional organic electrolytes. Here we performed molecular dynamics simulations of slit porous electrode in contact with two ionic liquids with similar viscosities and ionic conductivities, but different electrochemical stability. They are formed by sulfonium and phosphonium cations sharing the same anion. The supercapacitor built with sulfonium-based IL can store up to 50 % more energy at high voltage (Delta Psi = 3.8 V) than the one involving the phosphonium-based IL. Contrarily to previous works with ILs, the improved performance in terms of energy density is accompanied with a faster charging. The properties are rationalized by comparing the structure of the liquids in the two systems. These results show that it is not always necessary to compromise the power delivery for enhanced energy density in ionic liquids-based supercapacitors. (C) 2020 Elsevier Ltd. All rights reserved. (AU)

FAPESP's process: 17/11631-2 - Computational material science and chemistry
Grantee:Juarez Lopes Ferreira da Silva
Support type: Research Grants - Research Centers in Engineering Program
FAPESP's process: 19/18125-0 - Computational study of materials with application in energy storage
Grantee:Leonardo José Amaral de Siqueira
Support type: Regular Research Grants