Time-dependent density functional theory for the charging kinetics of electric double layer containing room-temperature ionic liquids

Understanding the charging kinetics of electric double layers is of fundamental importance for the design and development of novel electrochemical devices such as supercapacitors and field-effect transistors. In this work, we study the dynamic behavior of room-temperature ionic liquids using a class...

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Veröffentlicht in:The Journal of chemical physics 2016-11, Vol.145 (20), p.204707-204707
Hauptverfasser: Lian, Cheng, Zhao, Shuangliang, Liu, Honglai, Wu, Jianzhong
Format: Artikel
Sprache:eng
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Zusammenfassung:Understanding the charging kinetics of electric double layers is of fundamental importance for the design and development of novel electrochemical devices such as supercapacitors and field-effect transistors. In this work, we study the dynamic behavior of room-temperature ionic liquids using a classical time-dependent density functional theory that accounts for the molecular excluded volume effects, the electrostatic correlations, and the dispersion forces. While the conventional models predict a monotonic increase of the surface charge with time upon application of an electrode voltage, our results show that dispersion between ions results in a non-monotonic increase of the surface charge with the duration of charging. Furthermore, we investigate the effects of van der Waals attraction between electrode/ionic-liquid interactions on the charging processes.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.4968037