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

Authors :
Molodtsova OV
Knupfer M
Maslyuk VV
Vyalikh DV
Zhilin VM
Ossipyan YA
Bredow T
Mertig I
Aristov VY
Source :
The Journal of chemical physics [J Chem Phys] 2008 Oct 21; Vol. 129 (15), pp. 154705.
Publication Year :
2008

Abstract

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.

Details

Language :
English
ISSN :
1089-7690
Volume :
129
Issue :
15
Database :
MEDLINE
Journal :
The Journal of chemical physics
Publication Type :
Academic Journal
Accession number :
19045216
Full Text :
https://doi.org/10.1063/1.2993163