https://doi.org/10.1140/epje/i2005-10043-5
Original Article
Combined experimental and theoretical DFT study of molecular nanowires negative differential resistance and interaction with gold clusters
1
J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, Dolejškova 3, 18223, Praha 8, Czech Republic
2
Institute of Physics, Academy of Sciences of the Czech Republic, Na Slovance 2, 182 21, Praha 8, Czech Republic
3
Department of Electrical Engineering and Department of Chemistry, The Pennsylvania State University, PA 16802, University Park, USA
* e-mail: hruba@fzu.cz
Received:
31
March
2005
Accepted:
25
August
2005
Published online:
21
October
2005
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.
PACS: 85.35.-p Nanoelectronic devices – / 73.63.-b Electronic transport in nanoscale materials and structures – / 31.15.-p Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations) –
© EDP Sciences, Società Italiana di Fisica and Springer-Verlag, 2005
