Electronic properties of doped organic polymers: A quantum-chemical study

J. L. Bredas

doi:10.1016/0166-1280(84)80052-4

Electronic properties of doped organic polymers: A quantum-chemical study

J. L. Bredas^*

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

7 Scopus citations

Abstract

We present a review of the quantum-chemical calculations we have devoted to the electronic structure of conjugated organic polymers that can be made highly conducting upon doping. We study in great detail trans-polyacetylene, a system possessing a degenerate ground state and where soliton excitations can appear, and polyparaphenylene which has a unique ground state. We describe the modifications in electronic and geometric structures that appear upon doping in both types of systems and discuss their role in the conductivity mechanisms.

Original language	English (US)
Pages (from-to)	169-180
Number of pages	12
Journal	Journal of Molecular Structure: THEOCHEM
Volume	107
Issue number	C
DOIs	https://doi.org/10.1016/0166-1280(84)80052-4
State	Published - Feb 1984
Externally published	Yes

ASJC Scopus subject areas

Biochemistry
Condensed Matter Physics
Physical and Theoretical Chemistry

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10.1016/0166-1280(84)80052-4

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title = "Electronic properties of doped organic polymers: A quantum-chemical study",

abstract = "We present a review of the quantum-chemical calculations we have devoted to the electronic structure of conjugated organic polymers that can be made highly conducting upon doping. We study in great detail trans-polyacetylene, a system possessing a degenerate ground state and where soliton excitations can appear, and polyparaphenylene which has a unique ground state. We describe the modifications in electronic and geometric structures that appear upon doping in both types of systems and discuss their role in the conductivity mechanisms.",

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AB - We present a review of the quantum-chemical calculations we have devoted to the electronic structure of conjugated organic polymers that can be made highly conducting upon doping. We study in great detail trans-polyacetylene, a system possessing a degenerate ground state and where soliton excitations can appear, and polyparaphenylene which has a unique ground state. We describe the modifications in electronic and geometric structures that appear upon doping in both types of systems and discuss their role in the conductivity mechanisms.

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Electronic properties of doped organic polymers: A quantum-chemical study

Abstract

ASJC Scopus subject areas

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