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000911158 1001_ $$00000-0001-9777-7489$$aSakong, Sung$$b0$$eCorresponding author
000911158 245__ $$aThe structure of the electric double layer: Atomistic versus continuum approaches
000911158 260__ $$aAmsterdam$$bElsevier$$c2022
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000911158 520__ $$aThis article reviews recent forays in theoretical modeling of the double layer structure at electrode/electrolyte interfaces by current atomistic and continuum approaches. We will briefly discuss progress in both approaches and present a perspective on how to better describe the electric double layer by combining the unique advantages of each method. First-principles atomistic approaches provide the most detailed insights into the electronic and geometric structure of electrode/electrolyte interfaces. However, they are numerically too demanding to allow for a systematic investigation of the electric double layers over a wide range of electrochemical conditions. Yet, they can provide valuable input for continuum approaches that can capture the influence of the electrochemical environment on a larger length and time scale due to their numerical efficiency. However, continuum approaches rely on reliable input parameters. Conversely, continuum methods can provide a preselection of interface structures and conditions to be further studied on the atomistic level.
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000911158 7001_ $$0P:(DE-Juel1)192568$$aHuang, Jun$$b1$$ufzj
000911158 7001_ $$0P:(DE-Juel1)178034$$aEikerling, Michael$$b2
000911158 7001_ $$0P:(DE-HGF)0$$aGroß, Axel$$b3$$eCorresponding author
000911158 773__ $$0PERI:(DE-600)2879302-X$$a10.1016/j.coelec.2022.100953$$gVol. 33, p. 100953 -$$p100953 -$$tCurrent opinion in electrochemistry$$v33$$x2451-9103$$y2022
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000911158 8564_ $$uhttps://juser.fz-juelich.de/record/911158/files/EDL_2021_R1.pdf$$yPublished on 2022-02-25. Available in OpenAccess from 2023-02-25.
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