Please use this identifier to cite or link to this item: https://doi.org/10.1021/jp902804f
Title: Theoretical and experimental studies of electronic transport of dithienothiophene
Authors: Bao, Q. 
Lu, Z.
Li, J.
Loh, K.P. 
Li, C.M.
Issue Date: 16-Jul-2009
Source: Bao, Q., Lu, Z., Li, J., Loh, K.P., Li, C.M. (2009-07-16). Theoretical and experimental studies of electronic transport of dithienothiophene. Journal of Physical Chemistry C 113 (28) : 12530-12537. ScholarBank@NUS Repository. https://doi.org/10.1021/jp902804f
Abstract: Electronic transport through metal-dithieno[3, 2-b:2′,3′-d] thiophene (DTT) junctions with two interface geometries were studied experimentally by conducting probe atomic force microscopy on a self-assembled monolayer of DTT sandwiched between pairs of Au contacts and studied theoretically by using the fully self-consistent nonequilibrium Green's function combined with the density functional theory to calculate the transport current in the DTT nanostructures. The experimental and simulation results Reveal a similar electrical transport nature of a steplike current-voltage (I-V) curve and negative differential resistance (NDR). The characteristics of the I-V curves were elucidated with evolution of the transmission spectra, and the dependence of transmission peaks on the spatial distribution of renormalized molecular orbitals were further analyzed. In two designed test molecular schemes, the highest occupied molecular orbital (HOMO) is mainly responsible for the transmission resonance at a lower external bias voltage, while the interface states originating from coupling between the electrode surface and DTT molecule are suggested to produce the NDR peak in an asymmetrical metal-DTT junction. The study of electronic transport of monomers at the molecular scale in this work demonstrates a new mechanistic approach to engineer and optimize organic material-based electronic devices. © 2009 American Chemical Society.
Source Title: Journal of Physical Chemistry C
URI: http://scholarbank.nus.edu.sg/handle/10635/77259
ISSN: 19327447
DOI: 10.1021/jp902804f
Appears in Collections:Staff Publications

Show full item record
Files in This Item:
There are no files associated with this item.

SCOPUSTM   
Citations

25
checked on Jan 17, 2018

WEB OF SCIENCETM
Citations

23
checked on Nov 22, 2017

Page view(s)

22
checked on Jan 14, 2018

Google ScholarTM

Check

Altmetric


Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.