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Naji, M. |
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Motta, Antonella |
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Mohamed, Tarek |
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Taccardi, Nicola |
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Petrov, R. H. | Madrid |
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Ali, M. A. |
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Rančić, M. |
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Azevedo, Nuno Monteiro |
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Matsuura, A.
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article
Electronic structure of the organic semiconductor Alq3 (aluminum tris-8-hydroxyquinoline) from soft x-ray spectroscopies and density functional theory calculations
Abstract
<p>The element-specific electronic structure of the organic semiconductor aluminum tris-8-hydroxyquinoline (Alq<sub>3</sub>) 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 Alq<sub>3</sub>, 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.</p>