Skip to main content
SHARE
Publication

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

Publication Type
Journal
Journal Name
The Journal of Chemical Physics
Publication Date
Volume
145
Conference Date
-

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.