Enhancing the capacitive performance of microporous materials with protic ionic liquids

Gallegos, Alejandro; Wu, Jianzhong

doi:10.1016/j.molliq.2022.120161

Enhancing the capacitive performance of microporous materials with protic ionic liquids

Journal Article · Wed Aug 24 00:00:00 EDT 2022 · Journal of Molecular Liquids

DOI:https://doi.org/10.1016/j.molliq.2022.120161· OSTI ID:2422597

Gallegos, Alejandro ^[1]; Wu, Jianzhong ^[1]

Univ. of California, Riverside, CA (United States)

Classical density functional theory (cDFT) is used to investigate the electrosorption of protic ionic liquids in porous electrodes within the framework of a coarse-grained model. The purpose of this study is to clarify the capacitive behavior of protic ionic liquids in confined geometry. Previous studies have indicated that thermodynamic properties (e.g., capacitance, phase behavior and ionic conductivity) are influenced by the composition of the acid-base system and show asymmetry between acid dominant versus base dominant compositions. Here, we find that the electric double layer capacitance can be significantly improved by using protic ionic liquids compared to its aprotic counterpart through optimization of the mixture composition (i.e., the ratio of acid to base). We demonstrate the influence of pore size and applied voltage on the capacitance performance of protic ionic liquids and provide insight into microscopic understanding of ion and solvent distributions inside micropores.

View Accepted Manuscript (DOE)

Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Fluid Interface Reactions, Structures and Transport Center (FIRST)

Sponsoring Organization:: National Science Foundation (NSF); USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)

Grant/Contract Number:: AC02-05CH11231

OSTI ID:: 2422597

Alternate ID(s):: OSTI ID: 1884357

Journal Information:: Journal of Molecular Liquids, Journal Name: Journal of Molecular Liquids Journal Issue: C Vol. 365; ISSN 0167-7322

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Enhancing the capacitive performance of microporous materials with protic ionic liquids

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