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@ARTICLE{Huang:897484,
      author       = {Huang, Jun and Li, Mengru and Eslamibidgoli, Mohammad J.
                      and Eikerling, Michael and Groß, Axel},
      title        = {{C}ation {O}vercrowding {E}ffect on the {O}xygen
                      {E}volution {R}eaction},
      journal      = {JACS Au},
      volume       = {1},
      number       = {10},
      issn         = {2691-3704},
      address      = {Washington, DC},
      publisher    = {ACS Publications},
      reportid     = {FZJ-2021-03817},
      pages        = {1752-1765},
      year         = {2021},
      abstract     = {The influence of electrolyte ions on the catalytic activity
                      of electrode/electrolyte interfaces is a controversial topic
                      for many electrocatalytic reactions. Herein, we focus on an
                      effect that is usually neglected, namely, how the local
                      reaction conditions are shaped by nonspecifically adsorbed
                      cations. We scrutinize the oxygen evolution reaction (OER)
                      at nickel (oxy)hydroxide catalysts, using a physicochemical
                      model that integrates density functional theory
                      calculations, a microkinetic submodel, and a mean-field
                      submodel of the electric double layer. The aptness of the
                      model is verified by comparison with experiments. The
                      robustness of model-based insights against uncertainties and
                      variations in model parameters is examined, with a
                      sensitivity analysis using Monto Carlo simulations. We
                      interpret the decrease in OER activity with the increasing
                      effective size of electrolyte cations as a consequence of
                      cation overcrowding near the negatively charged electrode
                      surface. The same reasoning could explain why the OER
                      activity increases with solution pH on the RHE scale and why
                      the OER activity decreases in the presence of bivalent
                      cations. Overall, this work stresses the importance of
                      correctly accounting for local reaction conditions in
                      electrocatalytic reactions to obtain an accurate picture of
                      factors that determine the electrode activity.},
      cin          = {IEK-13 / JARA-ENERGY},
      ddc          = {540},
      cid          = {I:(DE-Juel1)IEK-13-20190226 / $I:(DE-82)080011_20140620$},
      pnm          = {1231 - Electrochemistry for Hydrogen (POF4-123)},
      pid          = {G:(DE-HGF)POF4-1231},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {pmid:34723278},
      UT           = {WOS:000711198900024},
      doi          = {10.1021/jacsau.1c00315},
      url          = {https://juser.fz-juelich.de/record/897484},
}