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Electronic structure of polyisonaphtothiophene: Design of a new conjugated organic polymer

Authors
Journal
Solid State Communications
0038-1098
Publisher
Elsevier
Publication Date
Volume
63
Issue
12
Identifiers
DOI: 10.1016/0038-1098(87)91067-2

Abstract

Abstract ab initio band structure results of polyisonaphtothiophene (PINTP) are presented. Comparison of its electronic properties such as band gap, ionisation potential and electron affinity with those of polyisothianaphthene (PITN) and polythiophene (PTP) indicates PINTP to be the best intrinsic electrical conductor of these three polymers. PINTP is also predicted to be the most dopant-philic of them. The effect of the hetero substitution and the substitution at the naphthalene ring on the conduction properties of PINTP is also discussed.

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