Regensburg 2016 – wissenschaftliches Programm
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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 36: Complex Fluids and Colloids V (joint session BP/CPP/DY, organized by DY)
CPP 36.11: Vortrag
Mittwoch, 9. März 2016, 12:45–13:00, H47
How (classical) density functional theory describes structure in electric double layers — •Andreas Härtel1, Sela Samin2, and Rene van Roij2 — 1Institute of Physics, Johannes Gutenberg-University Mainz, Germany — 2Institute for Theoretical Physics, Center for Extreme Matter and Emergent Phenomena, Utrecht University, The Netherlands
Ongoing scientific interest is aimed on the properties and structure of electric double layers (EDLs), which are crucial for capacitive water treatment and energy harvesting technologies like desalination devices, blue engines, and thermocapacitive heat-to-current converters. A promising tool for their microscopic description is (classical) density functional theory, which we have applied in order to analyze pair correlations and charge ordering in the primitive model of charged hard spheres. Interestingly, this simple model already describes structural in-plane transitions of EDLs, which occur while their corresponding electrodes are charged. Furthermore, our results demonstrate the impact of screening by solvents on the ability of EDLs to adsorb charges. In conclusion, our work points up issues in the theoretical description of EDLs, which finally might lead to a more sophisticated theory for ionic systems.