Electronic structure of pristine and sodium doped poly(p-pyridine)

G. Greczynski; N. Johansson; M. Lögdlund; L. A.A. Pettersson; W. R. Salaneck; L. E. Horsburgh; A. P. Monkman; D. A. Dos Santos; J. L. Brédas

doi:10.1063/1.1343485

Electronic structure of pristine and sodium doped poly(p-pyridine)

G. Greczynski^*, N. Johansson, M. Lögdlund, L. A.A. Pettersson, W. R. Salaneck, L. E. Horsburgh, A. P. Monkman, D. A. Dos Santos, J. L. Brédas

^*Corresponding author for this work

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

13 Scopus citations

Abstract

Ultraviolet spectroscopy (UPS) and x-ray photoelectron spectroscopy (XPS) were used to study the valence electronic structures of pristine and sodium doped poly (p-pyridine) (PPY). The UPS spectra were analyzed by studying the density-of-valence-states (DOVS) derived from quantum chemical calculations. The electronic band structure of the PPY chains was also theoretically investigated using the valence effective Hamiltonian (VEH) method. The theoretical approach was found to be more accurate in describing the electronic structure of PPY.

Original language	English (US)
Pages (from-to)	4243-4252
Number of pages	10
Journal	JOURNAL OF CHEMICAL PHYSICS
Volume	114
Issue number	9
DOIs	https://doi.org/10.1063/1.1343485
State	Published - Mar 1 2001
Externally published	Yes

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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@article{20b983e536dc4783b41657db64026b39,

title = "Electronic structure of pristine and sodium doped poly(p-pyridine)",

abstract = "Ultraviolet spectroscopy (UPS) and x-ray photoelectron spectroscopy (XPS) were used to study the valence electronic structures of pristine and sodium doped poly (p-pyridine) (PPY). The UPS spectra were analyzed by studying the density-of-valence-states (DOVS) derived from quantum chemical calculations. The electronic band structure of the PPY chains was also theoretically investigated using the valence effective Hamiltonian (VEH) method. The theoretical approach was found to be more accurate in describing the electronic structure of PPY.",

author = "G. Greczynski and N. Johansson and M. L{\"o}gdlund and Pettersson, {L. A.A.} and Salaneck, {W. R.} and Horsburgh, {L. E.} and Monkman, {A. P.} and {Dos Santos}, {D. A.} and Br{\'e}das, {J. L.}",

year = "2001",

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doi = "10.1063/1.1343485",

language = "English (US)",

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T1 - Electronic structure of pristine and sodium doped poly(p-pyridine)

AU - Greczynski, G.

AU - Johansson, N.

AU - Lögdlund, M.

AU - Pettersson, L. A.A.

AU - Salaneck, W. R.

AU - Horsburgh, L. E.

AU - Monkman, A. P.

AU - Dos Santos, D. A.

AU - Brédas, J. L.

PY - 2001/3/1

Y1 - 2001/3/1

N2 - Ultraviolet spectroscopy (UPS) and x-ray photoelectron spectroscopy (XPS) were used to study the valence electronic structures of pristine and sodium doped poly (p-pyridine) (PPY). The UPS spectra were analyzed by studying the density-of-valence-states (DOVS) derived from quantum chemical calculations. The electronic band structure of the PPY chains was also theoretically investigated using the valence effective Hamiltonian (VEH) method. The theoretical approach was found to be more accurate in describing the electronic structure of PPY.

AB - Ultraviolet spectroscopy (UPS) and x-ray photoelectron spectroscopy (XPS) were used to study the valence electronic structures of pristine and sodium doped poly (p-pyridine) (PPY). The UPS spectra were analyzed by studying the density-of-valence-states (DOVS) derived from quantum chemical calculations. The electronic band structure of the PPY chains was also theoretically investigated using the valence effective Hamiltonian (VEH) method. The theoretical approach was found to be more accurate in describing the electronic structure of PPY.

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U2 - 10.1063/1.1343485

DO - 10.1063/1.1343485

M3 - Article

AN - SCOPUS:0035280723

SN - 0021-9606

VL - 114

SP - 4243

EP - 4252

JO - JOURNAL OF CHEMICAL PHYSICS

JF - JOURNAL OF CHEMICAL PHYSICS

IS - 9

ER -

Electronic structure of pristine and sodium doped poly(p-pyridine)

Abstract

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