Electronic structure of polythiophene

C. R. Wu; J. O. Nilsson; O. Inganäs; W. R. Salaneck; J. E. Österholm; J. L. Brédas

doi:10.1016/0379-6779(87)90086-5

Electronic structure of polythiophene

C. R. Wu^*, J. O. Nilsson, O. Inganäs, W. R. Salaneck, J. E. Österholm, J. L. Brédas

^*Corresponding author for this work

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

Abstract

We have used ultraviolet and X-ray photoelectron spectroscopy (UPS and XPS respectively) to study the electronic structure of the electrically conducting polymer polythiophene (PT) prepared electrochemically. The UPS and XPS valence band spectra of electrochemically reduced, insulating PT (i.e., PT°) are compared with corresponding spectra of thiophene in the gas phase and in the condensed phase, with the spectra of pure radiation polymerized PT°, and with the results of quantum chemical calculations based upon the Valence Effective Hamiltonian (VEH) and CNDO/S3 models. Excellent agreement is obtained between theory and experiment. We have also noticed some unusual effects in the XPS valence spectrum of PT°, and in the XPS core level spectra of doped PT (i.e., Pt⁺) due to exposure of the samples to air.

Original language	English (US)
Pages (from-to)	197-202
Number of pages	6
Journal	Synthetic Metals
Volume	21
Issue number	1-3
DOIs	https://doi.org/10.1016/0379-6779(87)90086-5
State	Published - 1987
Externally published	Yes

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Materials Chemistry
Polymers and Plastics

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10.1016/0379-6779(87)90086-5

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title = "Electronic structure of polythiophene",

abstract = "We have used ultraviolet and X-ray photoelectron spectroscopy (UPS and XPS respectively) to study the electronic structure of the electrically conducting polymer polythiophene (PT) prepared electrochemically. The UPS and XPS valence band spectra of electrochemically reduced, insulating PT (i.e., PT°) are compared with corresponding spectra of thiophene in the gas phase and in the condensed phase, with the spectra of pure radiation polymerized PT°, and with the results of quantum chemical calculations based upon the Valence Effective Hamiltonian (VEH) and CNDO/S3 models. Excellent agreement is obtained between theory and experiment. We have also noticed some unusual effects in the XPS valence spectrum of PT°, and in the XPS core level spectra of doped PT (i.e., Pt+) due to exposure of the samples to air.",

author = "Wu, {C. R.} and Nilsson, {J. O.} and O. Ingan{\"a}s and Salaneck, {W. R.} and {\"O}sterholm, {J. E.} and Br{\'e}das, {J. L.}",

year = "1987",

doi = "10.1016/0379-6779(87)90086-5",

language = "English (US)",

volume = "21",

pages = "197--202",

journal = "Synthetic Metals",

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TY - JOUR

T1 - Electronic structure of polythiophene

AU - Wu, C. R.

AU - Nilsson, J. O.

AU - Inganäs, O.

AU - Salaneck, W. R.

AU - Österholm, J. E.

AU - Brédas, J. L.

PY - 1987

Y1 - 1987

N2 - We have used ultraviolet and X-ray photoelectron spectroscopy (UPS and XPS respectively) to study the electronic structure of the electrically conducting polymer polythiophene (PT) prepared electrochemically. The UPS and XPS valence band spectra of electrochemically reduced, insulating PT (i.e., PT°) are compared with corresponding spectra of thiophene in the gas phase and in the condensed phase, with the spectra of pure radiation polymerized PT°, and with the results of quantum chemical calculations based upon the Valence Effective Hamiltonian (VEH) and CNDO/S3 models. Excellent agreement is obtained between theory and experiment. We have also noticed some unusual effects in the XPS valence spectrum of PT°, and in the XPS core level spectra of doped PT (i.e., Pt+) due to exposure of the samples to air.

AB - We have used ultraviolet and X-ray photoelectron spectroscopy (UPS and XPS respectively) to study the electronic structure of the electrically conducting polymer polythiophene (PT) prepared electrochemically. The UPS and XPS valence band spectra of electrochemically reduced, insulating PT (i.e., PT°) are compared with corresponding spectra of thiophene in the gas phase and in the condensed phase, with the spectra of pure radiation polymerized PT°, and with the results of quantum chemical calculations based upon the Valence Effective Hamiltonian (VEH) and CNDO/S3 models. Excellent agreement is obtained between theory and experiment. We have also noticed some unusual effects in the XPS valence spectrum of PT°, and in the XPS core level spectra of doped PT (i.e., Pt+) due to exposure of the samples to air.

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U2 - 10.1016/0379-6779(87)90086-5

DO - 10.1016/0379-6779(87)90086-5

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VL - 21

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EP - 202

JO - Synthetic Metals

JF - Synthetic Metals

IS - 1-3

ER -

Electronic structure of polythiophene

Abstract

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