title: Water Dielectric Effects in Planar Confinement.
abstract: We investigate the dielectric profile of water confined between two planar polar walls using atomistic molecular dynamics simulations. For a water slab thickness below 1 nm the dielectric response is highly asymmetric: while the parallel component slightly increases compared to bulk, the perpendicular one decreases drastically due to anticorrelated polarization of neighboring water molecules. We demonstrate the importance of the dielectric contribution due to flexible polar headgroups and derive an effective dielectric tensorial box model suitable for coarse-grained electrostatic modeling.
authors: Fachbereich Physik, Freie Universität Berlin, Arnimallee 14, 14195 Berlin, Germany.
authors: Alexander
authors: A
authors: Schlaich
authors: Fachbereich Chemie, Freie Universität Berlin, Fabeckstraße 36a, 14195 Berlin, Germany.
authors: Ernst W
authors: EW
authors: Knapp
authors: Fachbereich Physik, Freie Universität Berlin, Arnimallee 14, 14195 Berlin, Germany.
authors: Roland R
authors: RR
authors: Netz