Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 129, Issue 22, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.3030975
Keywords
aluminium compounds; density functional theory; electronic density of states; Fermi level; organic semiconductors; semiconductor thin films; valence bands; X-ray absorption spectra; X-ray emission spectra; X-ray photoelectron spectra
Funding
- NSF [CHE-0807368]
- U.S. Air Force Office of Scientific Research [FA9550-06-1-0157]
- U.S. Army Research Office [DAAD19-01-1-0364, DAAH0495-0014]
- Science Foundation Ireland
- U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-98CH10886]
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The element-specific electronic structure of the organic semiconductor aluminum tris-8-hydroxyquinoline (Alq(3)) 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(3), 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.
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