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

A. Demasi, L. F J Piper, Y. Zhang, I. Reid, S. Wang, K. E. Smith, J. E. Downes, N. Peltekis, C. McGuinness, A. Matsuura

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Abstract

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.

Original languageEnglish
Article number224705
Pages (from-to)224705-1-224705-7
Number of pages7
JournalJournal of Chemical Physics
Volume129
Issue number22
DOIs
Publication statusPublished - 2008

Bibliographical note

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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