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| 001 | 911158 | ||
| 005 | 20240712113152.0 | ||
| 024 | 7 | _ | |a 10.1016/j.coelec.2022.100953 |2 doi |
| 024 | 7 | _ | |a 2451-9103 |2 ISSN |
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| 037 | _ | _ | |a FZJ-2022-04473 |
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| 100 | 1 | _ | |a Sakong, Sung |0 0000-0001-9777-7489 |b 0 |e Corresponding author |
| 245 | _ | _ | |a The structure of the electric double layer: Atomistic versus continuum approaches |
| 260 | _ | _ | |a Amsterdam |c 2022 |b Elsevier |
| 336 | 7 | _ | |a article |2 DRIVER |
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| 520 | _ | _ | |a 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. |
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| 700 | 1 | _ | |a Huang, Jun |0 P:(DE-Juel1)192568 |b 1 |u fzj |
| 700 | 1 | _ | |a Eikerling, Michael |0 P:(DE-Juel1)178034 |b 2 |
| 700 | 1 | _ | |a Groß, Axel |0 P:(DE-HGF)0 |b 3 |e Corresponding author |
| 773 | _ | _ | |a 10.1016/j.coelec.2022.100953 |g Vol. 33, p. 100953 - |0 PERI:(DE-600)2879302-X |p 100953 - |t Current opinion in electrochemistry |v 33 |y 2022 |x 2451-9103 |
| 856 | 4 | _ | |u https://juser.fz-juelich.de/record/911158/files/1-s2.0-S2451910322000187-main-1.pdf |y Restricted |
| 856 | 4 | _ | |y Published on 2022-02-25. Available in OpenAccess from 2023-02-25. |u https://juser.fz-juelich.de/record/911158/files/EDL_2021_R1.pdf |
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