Structural versus electrical functionalization of oligo(phenylene ethynylene) diamine molecular junctions

Teresa Gonzalez, M. and Zhao, Xiaotao and Manrique, David Zsolt and Miguel, Delia and Leary, Edmund and Gulcur, Murat and Batsanov, Andrei S. and Rubio-Bollinger, Gabino and Lambert, Colin J. and Bryce, Martin R. and Agrait, Nicolas (2014) Structural versus electrical functionalization of oligo(phenylene ethynylene) diamine molecular junctions. The Journal of Physical Chemistry C, 118 (37). pp. 21655-21662. ISSN 1932-7447

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Abstract

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.

Item Type:
Journal Article
Journal or Publication Title:
The Journal of Physical Chemistry C
Uncontrolled Keywords:
/dk/atira/pure/subjectarea/asjc/2500/2504
Subjects:
ID Code:
72146
Deposited By:
Deposited On:
15 Dec 2014 13:41
Refereed?:
Yes
Published?:
Published
Last Modified:
22 Oct 2020 02:42