Polarons and bipolarons in doped polythiophene: A theoretical investigation

J. L. Brédas; F. Wudl; A. J. Heeger

doi:10.1016/0038-1098(87)90856-8

Polarons and bipolarons in doped polythiophene: A theoretical investigation

J. L. Brédas
, F. Wudl
, A. J. Heeger

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

90 Scopus citations

Abstract

We present the results of tight-binding band structure calculations performed in the framework of the adiabatic Su-Schrieffer-Heeger Hamiltonian. We discuss the formation of polaron and bipolaron defects. The polaron wavefunction is analyzed with respect to ESR hyperfine splitting data recently reported for doped solutions of poly(3-hexylthiophene).

Original language	English (US)
Pages (from-to)	577-580
Number of pages	4
Journal	Solid State Communications
Volume	63
Issue number	7
DOIs	https://doi.org/10.1016/0038-1098(87)90856-8
State	Published - Aug 1987
Externally published	Yes

ASJC Scopus subject areas

General Chemistry
Condensed Matter Physics
Materials Chemistry

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@article{00bffab82ec544cda1722b95d026a41d,

title = "Polarons and bipolarons in doped polythiophene: A theoretical investigation",

abstract = "We present the results of tight-binding band structure calculations performed in the framework of the adiabatic Su-Schrieffer-Heeger Hamiltonian. We discuss the formation of polaron and bipolaron defects. The polaron wavefunction is analyzed with respect to ESR hyperfine splitting data recently reported for doped solutions of poly(3-hexylthiophene).",

author = "Br{\'e}das, \{J. L.\} and F. Wudl and Heeger, \{A. J.\}",

note = "Funding Information: We express our gratitude to J. M. Andre and B. Themans for fruitful discussions. We gratefully acknowledget hatt he collaborativew ork betweenN amur and UCSB is supportedb y NATO Scientific Affairs Division throughR esearchG rant No. 407/84. We are indebtedt o the Belgian National Fund for Scientific Research( FNRS), IBM Belgium, and the Facultes Universitaires Notre-Dame de la Paix for the use of the Namur Scientific ComputingF acility (SCF).",

year = "1987",

month = aug,

doi = "10.1016/0038-1098(87)90856-8",

language = "English (US)",

volume = "63",

pages = "577--580",

journal = "Solid State Communications",

issn = "0038-1098",

publisher = "Elsevier Ltd",

number = "7",

}

TY - JOUR

T1 - Polarons and bipolarons in doped polythiophene

T2 - A theoretical investigation

AU - Brédas, J. L.

AU - Wudl, F.

AU - Heeger, A. J.

N1 - Funding Information: We express our gratitude to J. M. Andre and B. Themans for fruitful discussions. We gratefully acknowledget hatt he collaborativew ork betweenN amur and UCSB is supportedb y NATO Scientific Affairs Division throughR esearchG rant No. 407/84. We are indebtedt o the Belgian National Fund for Scientific Research( FNRS), IBM Belgium, and the Facultes Universitaires Notre-Dame de la Paix for the use of the Namur Scientific ComputingF acility (SCF).

PY - 1987/8

Y1 - 1987/8

N2 - We present the results of tight-binding band structure calculations performed in the framework of the adiabatic Su-Schrieffer-Heeger Hamiltonian. We discuss the formation of polaron and bipolaron defects. The polaron wavefunction is analyzed with respect to ESR hyperfine splitting data recently reported for doped solutions of poly(3-hexylthiophene).

AB - We present the results of tight-binding band structure calculations performed in the framework of the adiabatic Su-Schrieffer-Heeger Hamiltonian. We discuss the formation of polaron and bipolaron defects. The polaron wavefunction is analyzed with respect to ESR hyperfine splitting data recently reported for doped solutions of poly(3-hexylthiophene).

UR - https://www.scopus.com/pages/publications/0023396765

UR - https://www.scopus.com/pages/publications/0023396765#tab=citedBy

U2 - 10.1016/0038-1098(87)90856-8

DO - 10.1016/0038-1098(87)90856-8

M3 - Article

AN - SCOPUS:0023396765

SN - 0038-1098

VL - 63

SP - 577

EP - 580

JO - Solid State Communications

JF - Solid State Communications

IS - 7

ER -

Polarons and bipolarons in doped polythiophene: A theoretical investigation

Abstract

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