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

摘要

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. (C) 2008 American Institute of Physics. [DOI: 10.1063/1.2993163]