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@ARTICLE{Sakong:911158,
      author       = {Sakong, Sung and Huang, Jun and Eikerling, Michael and
                      Groß, Axel},
      title        = {{T}he structure of the electric double layer: {A}tomistic
                      versus continuum approaches},
      journal      = {Current opinion in electrochemistry},
      volume       = {33},
      issn         = {2451-9103},
      address      = {Amsterdam},
      publisher    = {Elsevier},
      reportid     = {FZJ-2022-04473},
      pages        = {100953 -},
      year         = {2022},
      abstract     = {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.},
      cin          = {IEK-13 / JARA-ENERGY},
      ddc          = {621.3},
      cid          = {I:(DE-Juel1)IEK-13-20190226 / $I:(DE-82)080011_20140620$},
      pnm          = {1212 - Materials and Interfaces (POF4-121)},
      pid          = {G:(DE-HGF)POF4-1212},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000819856600017},
      doi          = {10.1016/j.coelec.2022.100953},
      url          = {https://juser.fz-juelich.de/record/911158},
}