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Self-Assembled Polythiophene-Based Nanostructures: Numerical Studies

Authors :
Olga Guskova
Alexei R. Khokhlov
Pavel G. Khalatur
Source :
Macromolecular Theory and Simulations. 18:219-246
Publication Year :
2009
Publisher :
Wiley, 2009.

Abstract

This review highlights recent advances achieved by different groups with various molecular simulation approaches for the prediction and fine-tuning of the supramolecular organization of thiophene derivatives, oligo- and polythiophenes. The focus is on functionalized oligo- and polythiophenes, including bio-inspired thiophene/ peptide copolymers ("molecular chimeras"). The subject matter of the article is divided up into subsections covering electronic and structural properties of single molecules, solution and solid-state self-assembly, amorphous polythiophene and polymer blends, thiophene-based nanomechanical devices, self-organization on substrates and applications. A number of examples are used to provide experimental data with which to compare the theoretical predictions.

Details

ISSN :
10221344
Volume :
18
Database :
OpenAIRE
Journal :
Macromolecular Theory and Simulations
Accession number :
edsair.doi...........7f4cf079957a40ca2c2b7af928cf60b1