title: Ionization energy and energy gap structure of MoSI molecular wires: Kelvin probe, ultraviolet photoelectron spectroscopy, and cyclic voltammetry measurements.
abstract: The work function W of Mo(6)S(3)I(6) molecular nanowires is determined by Kelvin probe (KP) measurements, UV photoelectron spectroscopy (UPS), and cyclic voltammetry (CV). The values obtained by all three methods agree well, giving W = 4.8 ± 0.1 eV. CV measurements also give a gap between the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) of E(g) = 1.2 ± 0.1 eV, in agreement with recent optical measurements, but in disagreement with theoretical calculations, which predict the material to be a metal. The electronic structure of Mo(6)S(3)I(6) suggests use of the material in applications such as bulk heterostructure photovoltaics and transparent electrodes and for molecular electronics devices.
authors.affiliation: Jozef Stefan Institute, Ljubljana, Slovenia. martin.strojnik@ijs.si
authors.forename: Martin
authors.initials: M
authors.lastname: Strojnik
authors.forename: Ales
authors.initials: A
authors.lastname: Omerzu
authors.forename: Aleksej
authors.initials: A
authors.lastname: Majkić
authors.forename: Peter M
authors.initials: PM
authors.lastname: Mihailovic
authors.forename: Junos
authors.initials: J
authors.lastname: Lukan
authors.forename: Gregor
authors.initials: G
authors.lastname: Bavdek
authors.forename: Gvido
authors.initials: G
authors.lastname: Bratina
authors.forename: Dean
authors.initials: D
authors.lastname: Cvetko
authors.forename: Peter
authors.initials: P
authors.lastname: Topolovsek
authors.forename: Dragan
authors.initials: D
authors.lastname: Mihailovic