title: Combined experimental and theoretical DFT study of molecular nanowires negative differential resistance and interaction with gold clusters.
abstract: Electric-field-assisted assembly has been used to place rod-shaped metal nanowires containing 4-[[2-nitro-4-(phenylethynyl) phenyl] ethynyl] benzenthiol molecules onto lithographically defined metal pads. These junctions exhibited negative differential resistance. The quantum chemical approach was used to compare the properties of Au-bonded 4-[[2-nitro-4-(phenylethynyl) phenyl] ethynyl] benzenthiol molecule and a molecule that does not exhibit the negative differential resistance, Au-bonded 4-[[4-(phenylethynyl) phenyl] ethynyl] benzenthiol. The influence of the static electric field and charge variation were modelled for both systems.
authors.affiliation: J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, Dolejskova 3, 18223 Praha 8, Czech Republic.
authors.forename: S
authors.initials: S
authors.lastname: Zális
authors.forename: I
authors.initials: I
authors.lastname: Kratochvilova
authors.forename: A
authors.initials: A
authors.lastname: Zambova
authors.forename: J
authors.initials: J
authors.lastname: Mbindyo
authors.forename: T E
authors.initials: TE
authors.lastname: Mallouk
authors.forename: T S
authors.initials: TS
authors.lastname: Mayer