Unoccupied electronic states in an organic semiconductor probedwith x-ray spectroscopy and first-principles calculations

High-quality films of copper phthalocyanine (CuPc) prepared in situ were used as a model to characterize unoccupied states of organic molecular semiconductors. We demonstrate that a combination of high-resolution near-edge x-ray absorption together with first-principles calculations constitutes a re...

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Bibliographic Details
Published in:The Journal of chemical physics 2008-10, Vol.129 (15), p.154705-154705-4
Main Authors: Molodtsova, Olga V., Knupfer, Martin, Maslyuk, Volodymyr V., Vyalikh, Denis V., Zhilin, Victor M., Ossipyan, Yurii A., Bredow, Thomas, Mertig, Ingrid, Aristov, Victor Yu
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Summary:High-quality films of copper phthalocyanine (CuPc) prepared in situ were used as a model to characterize unoccupied states of organic molecular semiconductors. We demonstrate that a combination of high-resolution near-edge x-ray absorption together with first-principles calculations constitutes a reliable tool for the detection and identification of particular molecular orbitals.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.2993163