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Quantification of ion confinement and desolvation in nanoporous carbon supercapacitors with modelling and in situ X-ray scattering

Autor(en)
C. Prehal, C. Koczwara, N. Jaeckel, A. Schreiber, M. Burian, H. Amenitsch, M. A. Hartmann, V. Presser, O. Paris
Abstrakt

A detailed understanding of confinement and desolvation of ions in electrically charged carbon nanopores is the key to enable advanced electrochemical energy storage and water treatment technologies. Here, we present the synergistic combination of experimental data from in situ small-angle X-ray scattering with Monte Carlo simulations of length-scale-dependent ion arrangement. In our approach, the simulations are based on the actual carbon nanopore structure and the global ion concentrations in the electrodes, both obtained from experiments. A combination of measured and simulated scattering data provides compelling evidence of partial desolvation of Cs+ and Cl- ions in water even in mixed micro-mesoporous carbons with average pore size well above 1 nm. A tight attachment of the aqueous solvation shell effectively prevents complete desolvation in carbons with subnanometre average pore size. The tendency of counter-ions to change their local environment towards high confinement with increasing voltage determines conclusively the performance of supercapacitor electrodes.

Organisation(en)
Computergestützte Physik und Physik der Weichen Materie
Externe Organisation(en)
Montanuniversität Leoben, Leibniz-Institut für Neue Materialien, Universität des Saarlandes, Technische Universität Graz
Journal
Nature Energy
Band
2
Anzahl der Seiten
8
ISSN
2058-7546
DOI
https://doi.org/10.1038/nenergy.2016.215
Publikationsdatum
03-2017
Peer-reviewed
Ja
ÖFOS 2012
104005 Elektrochemie, 103018 Materialphysik, 103029 Statistische Physik
Schlagwörter
ASJC Scopus Sachgebiete
Electronic, Optical and Magnetic Materials, Energy Engineering and Power Technology, Fuel Technology, Renewable Energy, Sustainability and the Environment
Link zum Portal
https://ucrisportal.univie.ac.at/de/publications/992500bf-091e-497e-8878-b0a24c846052