Publication: Electronic excitations in stacked oligothiophenes
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KU-Authors
KU Authors
Co-Authors
Yurtsever, Mine
Publication Date
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Embargo Status
Journal Title
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Abstract
Electronic spectroscopy of oligothiophenes is studied using the semi-empirical ZINDO methodology. Geometry of the neutral, and doubly charged bipolaronic forms of oligomers from 3T to 8T are optimized. Their coordinates are then used to generate various stacked structures up to tetramers. The effects of the length of the chains, number of layers in stacks, stacking distance between chains, deviation from planarity and number and relative positions of bipolaronic forms on the shapes of the electronic excitations are investigated.
Source
Publisher
Elsevier
Subject
Materials sciences, Multidisciplinary design optimization, Physics, Condensed matter, Polymers
Citation
Has Part
Source
Synthetic Metals
Book Series Title
Edition
DOI
10.1016/S0379-6779(00)00968-1