Electronic structure of the organic semiconductor Alq₃ (aluminum tris-8-hydroxyquinoline) from soft x-ray spectroscopies and density functional theory calculations | Macquarie University ResearchOnline

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Electronic structure of the organic semiconductor Alq₃ (aluminum tris-8-hydroxyquinoline) from soft x-ray spectroscopies and density functional theory calculations

Please use this identifier to cite or link to this item: http://hdl.handle.net/1959.14/45376

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Title: Electronic structure of the organic semiconductor Alq₃ (aluminum tris-8-hydroxyquinoline) from soft x-ray spectroscopies and density functional theory calculations
Related: Journal of chemical physics, Vol. 129, Issue 22, p.224705-1-224705-7
DOI: 10.1063/1.3030975
Publisher: American Institute of Physics
Date: 2008
Author/Creator: DeMasi, A
Author/Creator: Piper, L. F. J
Author/Creator: Zhang, Y
Author/Creator: Reid, I
Author/Creator: Wang, S
Author/Creator: Smith, K. E
Author/Creator: Downes, J. E.
Author/Creator: Peltekis, N
Author/Creator: McGuinness, C
Author/Creator: Matsuura, A
Description: The element-specific electronic structure of the organic semiconductor aluminum tris-8-hydroxyquinoline (Alq₃) has been studied using a combination of resonant x-ray emission spectroscopy, x-ray photoelectron spectroscopy, x-ray absorption spectroscopy, and density functional theory (DFT) calculations. Resonant and nonresonant x-ray emission spectroscopy were used to measure directly the carbon, nitrogen and oxygen 2p partial densities of states in Alq₃, and good agreement was found with the results of DFT calculations. Furthermore, resonant x-ray emission at the carbon K-edge is shown to be able to measure the partial density of states associated with individual C sites. Finally, comparison of previous x-ray emission studies and the present data reveal the presence of clear photon-induced damage in the former.
Description: 7 page(s)
Subject Keyword: aluminium compounds
Subject Keyword: density functional theory
Subject Keyword: electronic density of states
Subject Keyword: Fermi level
Subject Keyword: organic semiconductors
Subject Keyword: semiconductor thin films
Subject Keyword: valence bands
Subject Keyword: X-ray absorption spectra
Subject Keyword: X-ray emission spectra
Subject Keyword: X-ray photoelectron spectra
Resource Type: journal article
Organisation: Macquarie University. Dept. of Physics

Identifier: http://hdl.handle.net/1959.14/45376
Identifier: ISSN:1089-7690
Identifier: mq-rm-2008990343
Language: eng
Rights: Copyright 2008 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in Journal of chemical physics, Vol. 129, Issue 22, pp.224705-1 - 224705-7, and may be found at http://link.aip.org/link/?JCPSA6/129/224705/1
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