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Structural Anomalies and Electronic Properties of an Ionic Liquid under Nanoscale Confinement

Title data

Pham, Tuan Anh ; Coulthard, Riley M. ; Zobel, Mirijam ; Maiti, Amitesh ; Buchsbaum, Steven F. ; Loeb, Colin ; Campbell, Patrick G. ; Plata, Desirée L. ; Wood, Brandon C. ; Fornasiero, Francesco ; Meshot, Eric R.:
Structural Anomalies and Electronic Properties of an Ionic Liquid under Nanoscale Confinement.
In: The Journal of Physical Chemistry Letters. Vol. 11 (2020) Issue 15 . - pp. 6150-6155.
ISSN 1948-7185
DOI: https://doi.org/10.1021/acs.jpclett.0c01810

Abstract in another language

Ionic liquids (ILs) promise far greater electrochemical performance compared to aqueous systems, yet key physicochemical properties governing their assembly at interfaces within commonly used graphitic nanopores remain poorly understood. In this work, we combine synchrotron X-ray scattering with first-principles molecular dynamics simulations to unravel key structural characteristics of 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([TFSI]−) ionic liquids confined in carbon slit pores. X-ray scattering reveals selective pore filling due to size exclusion, while filled pores exhibit disruption in the IL intermolecular structure, the extent of which increases for narrower slit pores. First-principles simulations corroborate this finding and quantitatively describe how perturbations in the local IL structure, particularly the hydrogen-bond network, depend strongly on the degree of confinement. Despite significant deviations in structure under confinement, electrochemical stability remains intact, which is important for energy storage based on nanoporous carbon electrodes (e.g., supercapacitors).

Further data

Item Type: Article in a journal
Refereed: Yes
Institutions of the University: Faculties > Faculty of Biology, Chemistry and Earth Sciences > Department of Chemistry > Junior Professor Solid State Chemistry - Mesostructured Materials
Faculties > Faculty of Biology, Chemistry and Earth Sciences > Department of Chemistry > Junior Professor Solid State Chemistry - Mesostructured Materials > Junior Professor Solid State Chemistry - Mesostructured Materials - Juniorprof. Dr. Mirijam Zobel
Result of work at the UBT: Yes
DDC Subjects: 500 Science > 530 Physics
500 Science > 540 Chemistry
Date Deposited: 17 Aug 2020 09:37
Last Modified: 17 Aug 2020 09:37
URI: https://eref.uni-bayreuth.de/id/eprint/56510