%0 Journal Article
%A Sakong, Sung
%A Huang, Jun
%A Eikerling, Michael
%A Groß, Axel
%T The structure of the electric double layer: Atomistic versus continuum approaches
%J Current opinion in electrochemistry
%V 33
%@ 2451-9103
%C Amsterdam
%I Elsevier
%M FZJ-2022-04473
%P 100953 -
%D 2022
%X This article reviews recent forays in theoretical modeling of the double layer structure at electrode/electrolyte interfaces by current atomistic and continuum approaches. We will briefly discuss progress in both approaches and present a perspective on how to better describe the electric double layer by combining the unique advantages of each method. First-principles atomistic approaches provide the most detailed insights into the electronic and geometric structure of electrode/electrolyte interfaces. However, they are numerically too demanding to allow for a systematic investigation of the electric double layers over a wide range of electrochemical conditions. Yet, they can provide valuable input for continuum approaches that can capture the influence of the electrochemical environment on a larger length and time scale due to their numerical efficiency. However, continuum approaches rely on reliable input parameters. Conversely, continuum methods can provide a preselection of interface structures and conditions to be further studied on the atomistic level.
%F PUB:(DE-HGF)16
%9 Journal Article
%U <Go to ISI:>//WOS:000819856600017
%R 10.1016/j.coelec.2022.100953
%U https://juser.fz-juelich.de/record/911158