Theoretical study of the electronic structure of poly(2,5-dimethoxyparaphenylenevinylene) and its oligomers

O. Lhost; J. L. Bredas; S. C. Graham; R. H. Friend; D. D.C. Bradley

doi:10.1016/0379-6779(93)90739-J

Theoretical study of the electronic structure of poly(2,5-dimethoxyparaphenylenevinylene) and its oligomers

O. Lhost, J. L. Bredas, S. C. Graham, R. H. Friend, D. D.C. Bradley

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

Abstract

Using the Valence Effective Hamiltonian (VEH) approach, we have studied the electronic structure of poly(2,5-dimethoxyparaphenylenevinylene) and its short oligomers. Calculations are also performed on the charged polymer in order to simulate the existence of bipolarons. Results obtained on the oligomers allow us to understand the evolution of the electronic properties as a function of chain length.

Original language	English (US)
Pages (from-to)	4290-4295
Number of pages	6
Journal	Synthetic Metals
Volume	57
Issue number	2-3
DOIs	https://doi.org/10.1016/0379-6779(93)90739-J
State	Published - Apr 19 1993
Externally published	Yes

Keywords

VEH
bipolarons
poly(2,5-dimethoxyparaphenylenevinylene)

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Condensed Matter Physics
Mechanics of Materials
Mechanical Engineering
Metals and Alloys
Materials Chemistry

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10.1016/0379-6779(93)90739-J

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title = "Theoretical study of the electronic structure of poly(2,5-dimethoxyparaphenylenevinylene) and its oligomers",

abstract = "Using the Valence Effective Hamiltonian (VEH) approach, we have studied the electronic structure of poly(2,5-dimethoxyparaphenylenevinylene) and its short oligomers. Calculations are also performed on the charged polymer in order to simulate the existence of bipolarons. Results obtained on the oligomers allow us to understand the evolution of the electronic properties as a function of chain length.",

keywords = "VEH, bipolarons, poly(2,5-dimethoxyparaphenylenevinylene)",

author = "O. Lhost and Bredas, {J. L.} and Graham, {S. C.} and Friend, {R. H.} and Bradley, {D. D.C.}",

note = "Funding Information: ACKNOWLEDGEMENTS The Mons~2ambridge collaboration is supported by the Commission of European Communities programme CEC-BRITE/EURAM (Basic Research in Industrial Technologies for Europe/EURopean Advanced Materials) contract 0148 - project NAPOLEO (Nouvelles Applications de POLymrres b. l'Electroni~lue et h l'Optique). The work in Mons is partly supported by the Belgian {"}P61e d'Attraction lnteruniversitaire: Chinaie Supramolrculaire et Catalyse{"}.",

year = "1993",

month = apr,

day = "19",

doi = "10.1016/0379-6779(93)90739-J",

language = "English (US)",

volume = "57",

pages = "4290--4295",

journal = "Synthetic Metals",

issn = "0379-6779",

publisher = "Elsevier BV",

number = "2-3",

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TY - JOUR

T1 - Theoretical study of the electronic structure of poly(2,5-dimethoxyparaphenylenevinylene) and its oligomers

AU - Lhost, O.

AU - Bredas, J. L.

AU - Graham, S. C.

AU - Friend, R. H.

AU - Bradley, D. D.C.

N1 - Funding Information: ACKNOWLEDGEMENTS The Mons~2ambridge collaboration is supported by the Commission of European Communities programme CEC-BRITE/EURAM (Basic Research in Industrial Technologies for Europe/EURopean Advanced Materials) contract 0148 - project NAPOLEO (Nouvelles Applications de POLymrres b. l'Electroni~lue et h l'Optique). The work in Mons is partly supported by the Belgian "P61e d'Attraction lnteruniversitaire: Chinaie Supramolrculaire et Catalyse".

PY - 1993/4/19

Y1 - 1993/4/19

N2 - Using the Valence Effective Hamiltonian (VEH) approach, we have studied the electronic structure of poly(2,5-dimethoxyparaphenylenevinylene) and its short oligomers. Calculations are also performed on the charged polymer in order to simulate the existence of bipolarons. Results obtained on the oligomers allow us to understand the evolution of the electronic properties as a function of chain length.

AB - Using the Valence Effective Hamiltonian (VEH) approach, we have studied the electronic structure of poly(2,5-dimethoxyparaphenylenevinylene) and its short oligomers. Calculations are also performed on the charged polymer in order to simulate the existence of bipolarons. Results obtained on the oligomers allow us to understand the evolution of the electronic properties as a function of chain length.

KW - VEH

KW - bipolarons

KW - poly(2,5-dimethoxyparaphenylenevinylene)

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U2 - 10.1016/0379-6779(93)90739-J

DO - 10.1016/0379-6779(93)90739-J

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VL - 57

SP - 4290

EP - 4295

JO - Synthetic Metals

JF - Synthetic Metals

SN - 0379-6779

IS - 2-3

ER -

Theoretical study of the electronic structure of poly(2,5-dimethoxyparaphenylenevinylene) and its oligomers

Abstract

Keywords

ASJC Scopus subject areas

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