Photoexcitations in poly(paraphenylene vinylene)

Z. Shuai; J. L. BrÉDas; W. P. Su

doi:10.1080/10587259408039286

Photoexcitations in poly(paraphenylene vinylene)

Z. Shuai, J. L. BrÉDas, W. P. Su

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

3 Scopus citations

Abstract

Within a theoretical approach including both electron-phonon and electron-electron interaction terms, we investigate the relaxation processes of photoexcited states in oligomers and long chains of poly(paraphenylene vinylene), PPV. Our direct calculations indicate that in PPV the difference in relaxation energy between two polarons and one singlet [triplet] polaron-exciton decreases [increases] with the Hubbard U term; the long-range interaction V terms stabilize both the singlet and triplet polaron-excitons. The theoretical simulation of the photoinduced absorption spectra both for singlet and triplet states are in very a good agreement with experiment.

Original language	English (US)
Pages (from-to)	525-530
Number of pages	6
Journal	Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals
Volume	256
Issue number	1
DOIs	https://doi.org/10.1080/10587259408039286
State	Published - Nov 1994
Externally published	Yes

ASJC Scopus subject areas

Condensed Matter Physics

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title = "Photoexcitations in poly(paraphenylene vinylene)",

abstract = "Within a theoretical approach including both electron-phonon and electron-electron interaction terms, we investigate the relaxation processes of photoexcited states in oligomers and long chains of poly(paraphenylene vinylene), PPV. Our direct calculations indicate that in PPV the difference in relaxation energy between two polarons and one singlet [triplet] polaron-exciton decreases [increases] with the Hubbard U term; the long-range interaction V terms stabilize both the singlet and triplet polaron-excitons. The theoretical simulation of the photoinduced absorption spectra both for singlet and triplet states are in very a good agreement with experiment.",

author = "Z. Shuai and Br{\'E}Das, {J. L.} and Su, {W. P.}",

note = "Funding Information: The work in Mons is supported by the Belgian Prime Minister Office of Science Policy ({"}Programme d'Jmpulsion en Technologie de 1'Information. contract IT/SC/22, and {"}P61e d'Attraction Interuniversitaire{"}), the Commission of European Community ESPRIT project LEDFOS (80131, and the Belgian National Fund for Scientific Research. The work in Houston is supported by the Texas Advanced Technology Program under Grant No. 003652-228 and the Robert A. Welch Foundation. WPS acknowledges partial support from the Donors of the Petroleum Research Fund administered by the American Chemical Society.",

year = "1994",

month = nov,

doi = "10.1080/10587259408039286",

language = "English (US)",

volume = "256",

pages = "525--530",

journal = "Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals",

issn = "1058-725X",

publisher = "Taylor and Francis Ltd.",

number = "1",

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TY - JOUR

T1 - Photoexcitations in poly(paraphenylene vinylene)

AU - Shuai, Z.

AU - BrÉDas, J. L.

AU - Su, W. P.

N1 - Funding Information: The work in Mons is supported by the Belgian Prime Minister Office of Science Policy ("Programme d'Jmpulsion en Technologie de 1'Information. contract IT/SC/22, and "P61e d'Attraction Interuniversitaire"), the Commission of European Community ESPRIT project LEDFOS (80131, and the Belgian National Fund for Scientific Research. The work in Houston is supported by the Texas Advanced Technology Program under Grant No. 003652-228 and the Robert A. Welch Foundation. WPS acknowledges partial support from the Donors of the Petroleum Research Fund administered by the American Chemical Society.

PY - 1994/11

Y1 - 1994/11

N2 - Within a theoretical approach including both electron-phonon and electron-electron interaction terms, we investigate the relaxation processes of photoexcited states in oligomers and long chains of poly(paraphenylene vinylene), PPV. Our direct calculations indicate that in PPV the difference in relaxation energy between two polarons and one singlet [triplet] polaron-exciton decreases [increases] with the Hubbard U term; the long-range interaction V terms stabilize both the singlet and triplet polaron-excitons. The theoretical simulation of the photoinduced absorption spectra both for singlet and triplet states are in very a good agreement with experiment.

AB - Within a theoretical approach including both electron-phonon and electron-electron interaction terms, we investigate the relaxation processes of photoexcited states in oligomers and long chains of poly(paraphenylene vinylene), PPV. Our direct calculations indicate that in PPV the difference in relaxation energy between two polarons and one singlet [triplet] polaron-exciton decreases [increases] with the Hubbard U term; the long-range interaction V terms stabilize both the singlet and triplet polaron-excitons. The theoretical simulation of the photoinduced absorption spectra both for singlet and triplet states are in very a good agreement with experiment.

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JF - Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals

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ER -

Photoexcitations in poly(paraphenylene vinylene)

Abstract

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