title: Weak interactions in Graphane/BN systems under static electric fields—A periodic ab-initio study.
abstract: Ab-initio calculations via periodic Hartree-Fock (HF) and local second-order Møller-Plesset perturbation theory (LMP2) are used to investigate the adsorption properties of combined Graphane/boron nitride systems and their response to static electric fields. It is shown how the latter can be used to alter both structural as well as electronic properties of these systems.
authors.affiliation: Institut für Chemie und Biochemie, Freie Universität Berlin, Takustraße 3, 14195 Berlin, Germany.
authors.forename: Lukas Eugen Marsoner
authors.initials: LE
authors.lastname: Steinkasserer
authors.affiliation: MacDiarmid Institute for Advanced Materials and Nanotechnology, School of Chemical and Physical Sciences, Victoria University of Wellington, P.O. Box 600, 6140 Wellington, New Zealand.
authors.forename: Nicola
authors.initials: N
authors.lastname: Gaston
authors.affiliation: Institut für Chemie und Biochemie, Freie Universität Berlin, Takustraße 3, 14195 Berlin, Germany.
authors.forename: Beate
authors.initials: B
authors.lastname: Paulus