Lian, C;
Zhao, S;
Liu, H;
Wu, J;
(2016)
Time-dependent density functional theory for the charging kinetics of electric double layer containing room-temperature ionic liquids.
Journal of Chemical Physics
, 145
(20)
, Article 204707. 10.1063/1.4968037.
Preview |
Text
1.4968037.pdf - Published Version Download (3MB) | Preview |
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.
| Type: | Article |
|---|---|
| Title: | Time-dependent density functional theory for the charging kinetics of electric double layer containing room-temperature ionic liquids |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1063/1.4968037 |
| Publisher version: | http://doi.org/10.1063/1.4968037 |
| Language: | English |
| Additional information: | Published by AIP Publishing. This version is the version of record. For information on re-use, please refer to the publisher’s terms and conditions. |
| Keywords: | Science & Technology, Physical Sciences, Chemistry, Physical, Physics, Atomic, Molecular & Chemical, Chemistry, Physics, FILLED NANOPORES, DIFFUSE LAYERS, DYNAMICS, SUPERCAPACITORS, MODEL, ELECTROLYTES, CAPACITANCE, BEHAVIOR, INTERFACES, PARTICLES |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Engineering Science |
| URI: | https://discovery.ucl.ac.uk/id/eprint/10040903 |
Archive Staff Only
 |
View Item |
