Electronic state of nitrogen containing polypyridine at the interfaces with model sulfonic acid containing polymer and molecule

Kin-Yiu WONG; J. A.O. Smallfield; M. Fahlman; A. J. Epstein

doi:10.1016/S0379-6779(02)00890-1

Electronic state of nitrogen containing polypyridine at the interfaces with model sulfonic acid containing polymer and molecule

Kin-Yiu WONG, J. A.O. Smallfield, M. Fahlman, A. J. Epstein

Department of Physics

Research output: Contribution to journal › Conference article › peer-review

6 Citations (Scopus)

Abstract

We present results of an X-ray photoelectron spectroscopy (XPS) study of the interfaces between polypyridine (PPy) and model sulfonic acid containing polymer and molecule. We show that the N 1s level splits reflecting protonation of a substantial fraction of the PPy N sites. Density functional theory (DFT) is employed to compare excitation energies, bond angles, highest occupied molecular orbital (HOMO), lowest unoccupied molecular orbital (LUMO), and density of states of oligomers of pyridine and protonated pyridine. These results are in accord with the proposed origin of the red shift of the emitted light under forward bias in color-variable alternating-current light emitting (SCALE) devices.

Original language	English
Pages (from-to)	1031-1032
Number of pages	2
Journal	Synthetic Metals
Volume	137
Issue number	1-3
DOIs	https://doi.org/10.1016/S0379-6779(02)00890-1
Publication status	Published - 4 Apr 2003
Event	ICSM 2002 - Shanghai, China Duration: 29 Jun 2002 → 5 Jul 2002

Scopus Subject Areas

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

User-Defined Keywords

Density functional theory
Polymer-polymer interfaces
SCALE
Sulfonated polyaniline
X-ray photoelectron spectroscopy

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10.1016/S0379-6779(02)00890-1

Cite this

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title = "Electronic state of nitrogen containing polypyridine at the interfaces with model sulfonic acid containing polymer and molecule",

abstract = "We present results of an X-ray photoelectron spectroscopy (XPS) study of the interfaces between polypyridine (PPy) and model sulfonic acid containing polymer and molecule. We show that the N 1s level splits reflecting protonation of a substantial fraction of the PPy N sites. Density functional theory (DFT) is employed to compare excitation energies, bond angles, highest occupied molecular orbital (HOMO), lowest unoccupied molecular orbital (LUMO), and density of states of oligomers of pyridine and protonated pyridine. These results are in accord with the proposed origin of the red shift of the emitted light under forward bias in color-variable alternating-current light emitting (SCALE) devices.",

keywords = "Density functional theory, Polymer-polymer interfaces, SCALE, Sulfonated polyaniline, X-ray photoelectron spectroscopy",

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T1 - Electronic state of nitrogen containing polypyridine at the interfaces with model sulfonic acid containing polymer and molecule

AU - WONG, Kin-Yiu

AU - Smallfield, J. A.O.

AU - Fahlman, M.

AU - Epstein, A. J.

PY - 2003/4/4

Y1 - 2003/4/4

N2 - We present results of an X-ray photoelectron spectroscopy (XPS) study of the interfaces between polypyridine (PPy) and model sulfonic acid containing polymer and molecule. We show that the N 1s level splits reflecting protonation of a substantial fraction of the PPy N sites. Density functional theory (DFT) is employed to compare excitation energies, bond angles, highest occupied molecular orbital (HOMO), lowest unoccupied molecular orbital (LUMO), and density of states of oligomers of pyridine and protonated pyridine. These results are in accord with the proposed origin of the red shift of the emitted light under forward bias in color-variable alternating-current light emitting (SCALE) devices.

AB - We present results of an X-ray photoelectron spectroscopy (XPS) study of the interfaces between polypyridine (PPy) and model sulfonic acid containing polymer and molecule. We show that the N 1s level splits reflecting protonation of a substantial fraction of the PPy N sites. Density functional theory (DFT) is employed to compare excitation energies, bond angles, highest occupied molecular orbital (HOMO), lowest unoccupied molecular orbital (LUMO), and density of states of oligomers of pyridine and protonated pyridine. These results are in accord with the proposed origin of the red shift of the emitted light under forward bias in color-variable alternating-current light emitting (SCALE) devices.

KW - Density functional theory

KW - Polymer-polymer interfaces

KW - SCALE

KW - Sulfonated polyaniline

KW - X-ray photoelectron spectroscopy

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U2 - 10.1016/S0379-6779(02)00890-1

DO - 10.1016/S0379-6779(02)00890-1

M3 - Conference article

AN - SCOPUS:0344951244

SN - 0379-6779

VL - 137

SP - 1031

EP - 1032

JO - Synthetic Metals

JF - Synthetic Metals

IS - 1-3

T2 - ICSM 2002

Y2 - 29 June 2002 through 5 July 2002

ER -

Electronic state of nitrogen containing polypyridine at the interfaces with model sulfonic acid containing polymer and molecule

Abstract

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