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@ARTICLE{OteroMato:863374,
      author       = {Otero-Mato, José M. and Montes-Campos, Hadrián and
                      Cabeza, Oscar and Diddens, Diddo and Ciach, Alina and
                      Gallego, Luis J. and Varela, Luis M.},
      title        = {3{D} structure of the electric double layer of ionic
                      liquid–alcohol mixtures at the electrochemical interface},
      journal      = {Physical chemistry, chemical physics},
      volume       = {20},
      number       = {48},
      issn         = {1463-9084},
      address      = {Cambridge},
      publisher    = {RSC Publ.66479},
      reportid     = {FZJ-2019-03447},
      pages        = {30412 - 30427},
      year         = {2018},
      abstract     = {Mixtures of the ionic liquid 1-butyl-3-methylimidazolium
                      tetrafluoroborate with amphiphilic cosolvents, such as
                      methanol and ethanol, nanoconfined between graphene walls
                      are studied by means of molecular dynamics simulations and
                      the results are compared with those of the pure ionic liquid
                      and its mixtures with water confined in the same conditions.
                      We investigate the adsorption of cosolvent molecules at the
                      graphene walls as well as their distribution across the
                      system. The results show that, due to a higher affinity of
                      the polar groups to be close to the anions in combination
                      with the electrostatic and excluded volume interactions,
                      there exists a high tendency of the OH groups to lie close
                      to the anode, inducing small changes in the first cation
                      layer. The orientation of cosolvent molecules is found to be
                      closely related to the alignment of the molecular dipole
                      moment. We also investigate the lateral ionic distribution
                      in the layers close to the electrodes, which shows a
                      structural transition from liquid-like lamellar ordering to
                      solid-like hexagonal patterns as the size of the cosolvent
                      molecules increases leading to smaller position fluctuations
                      of the ions. The dependence of the specific patterns on the
                      nature of the electrodes is also studied. This study
                      strongly suggests that the ionic patterns formed in the
                      first ionic layers next to the charged interfaces are
                      universal since their existence does not crucially depend on
                      the atomic composition of the interfacial material, but only
                      on the net charge density of the considered ionic layer,
                      which significantly changes the ionic mobility in this
                      region.},
      cin          = {IEK-12},
      ddc          = {540},
      cid          = {I:(DE-Juel1)IEK-12-20141217},
      pnm          = {131 - Electrochemical Storage (POF3-131)},
      pid          = {G:(DE-HGF)POF3-131},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {pmid:30500015},
      UT           = {WOS:000453231100031},
      doi          = {10.1039/C8CP05632C},
      url          = {https://juser.fz-juelich.de/record/863374},
}