Research output: Contribution to Journal/Magazine › Journal article › peer-review
Research output: Contribution to Journal/Magazine › Journal article › peer-review
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TY - JOUR
T1 - Structural versus electrical functionalization of oligo(phenylene ethynylene) diamine molecular junctions
AU - Teresa Gonzalez, M.
AU - Zhao, Xiaotao
AU - Manrique, David Zsolt
AU - Miguel, Delia
AU - Leary, Edmund
AU - Gulcur, Murat
AU - Batsanov, Andrei S.
AU - Rubio-Bollinger, Gabino
AU - Lambert, Colin J.
AU - Bryce, Martin R.
AU - Agrait, Nicolas
PY - 2014/9/18
Y1 - 2014/9/18
N2 - We explore both experimentally and theoretically the conductance and packing of molecular junctions based on oligo(phenyleneethynylene) (OPE) diamine wires, when a series of functional groups are incorporated into the wires. Using the scanning tunnelling microscopy break-junction (STM BJ) technique, we study these compounds in two environments (air and 1,2,4-trichlorobenzene) and explore different starting molecular concentrations. We show that the electrical conductance of the molecular junctions exhibits variations among different compounds, which are significant at standard concentrations but become unimportant when working at a low enough concentration. This shows that the main effect of the functional groups is to affect the packing of the molecular wires, rather than to modify their electrical properties. Our theoretical calculations consistently predict no significant changes in the conductance of the wires due to the electronic structure of the functional groups, although their ability to hinder ring rotations within the OPE backbone can lead to higher conductances at higher packing densities.
AB - We explore both experimentally and theoretically the conductance and packing of molecular junctions based on oligo(phenyleneethynylene) (OPE) diamine wires, when a series of functional groups are incorporated into the wires. Using the scanning tunnelling microscopy break-junction (STM BJ) technique, we study these compounds in two environments (air and 1,2,4-trichlorobenzene) and explore different starting molecular concentrations. We show that the electrical conductance of the molecular junctions exhibits variations among different compounds, which are significant at standard concentrations but become unimportant when working at a low enough concentration. This shows that the main effect of the functional groups is to affect the packing of the molecular wires, rather than to modify their electrical properties. Our theoretical calculations consistently predict no significant changes in the conductance of the wires due to the electronic structure of the functional groups, although their ability to hinder ring rotations within the OPE backbone can lead to higher conductances at higher packing densities.
KW - CONTROLLED CONDUCTANCE
KW - CHARGE-TRANSPORT
KW - SINGLE
KW - WIRES
KW - ELECTRONICS
KW - CONDUCTIVITY
KW - CIRCUITS
KW - LEVEL
U2 - 10.1021/jp506078a
DO - 10.1021/jp506078a
M3 - Journal article
VL - 118
SP - 21655
EP - 21662
JO - The Journal of Physical Chemistry C
JF - The Journal of Physical Chemistry C
SN - 1932-7447
IS - 37
ER -