title: Time-dependent density functional theory for the charging kinetics of electric double layer containing room-temperature ionic liquids.
abstract: 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.
authors.affiliation: State Key Laboratory of Chemical Engineering, and School of Chemistry and Molecular Engineering, East China University of Science and Technology, Shanghai, 200237, People's Republic of China.
authors.forename: Cheng
authors.initials: C
authors.lastname: Lian
authors.affiliation: State Key Laboratory of Chemical Engineering, and School of Chemistry and Molecular Engineering, East China University of Science and Technology, Shanghai, 200237, People's Republic of China.
authors.forename: Shuangliang
authors.initials: S
authors.lastname: Zhao
authors.affiliation: State Key Laboratory of Chemical Engineering, and School of Chemistry and Molecular Engineering, East China University of Science and Technology, Shanghai, 200237, People's Republic of China.
authors.forename: Honglai
authors.initials: H
authors.lastname: Liu
authors.affiliation: Department of Chemical and Environmental Engineering, University of California, Riverside, California 92521, USA.
authors.forename: Jianzhong
authors.initials: J
authors.lastname: Wu