title: Exploring the tilt-angle dependence of electron tunneling across molecular junctions of self-assembled alkanethiols.
abstract: Electronic transport mechanisms in molecular junctions are investigated by a combination of first-principles calculations and current-voltage measurements of several well-characterized structures. We study self-assembled layers of alkanethiols grown on Au(111) and form tunnel junctions by contacting the molecular layers with the tip of a conductive force microscope. Measurements done under low-load conditions permit us to obtain reliable tilt-angle and molecular length dependencies of the low-bias conductance through the alkanethiol layers. The observed dependence on tilt-angle is stronger for the longer molecular chains. Our calculations confirm the observed trends and explain them as a result of two mechanisms, namely, a previously proposed intermolecular tunneling enhancement as well as a hitherto overlooked tilt-dependent molecular gate effect.
authors.affiliation: Donostia International Physics Center (DIPC), Paseo Manuel de Lardizabal 4, San Sebastian 20018, Spain. thomas_frederiksen@ehu.es
authors.forename: T
authors.initials: T
authors.lastname: Frederiksen
authors.forename: C
authors.initials: C
authors.lastname: Munuera
authors.forename: C
authors.initials: C
authors.lastname: Ocal
authors.forename: M
authors.initials: M
authors.lastname: Brandbyge
authors.forename: M
authors.initials: M
authors.lastname: Paulsson
authors.forename: D
authors.initials: D
authors.lastname: Sanchez-Portal
authors.forename: A
authors.initials: A
authors.lastname: Arnau