Electronic structure of a vapor-deposited metal-free phthalocyanine thin film
Författare
Summary, in English
The electronic structure of a vapor-sublimated thin film of metal-free phthalocyanine (H2Pc) is studied experimentally and theoretically. An atom-specific picture of the occupied and unoccupied electronic states is obtained using x-ray-absorption spectroscopy (XAS), core- and valence-level x-ray photoelectron spectroscopy (XPS), and density-functional theory (DFT) calculations. The DFT calculations allow for an identification of the contributions from individual nitrogen atoms to the experimental N1s XAS and valence XPS spectra. This comprehensive study of metal-free phthalocyanine is relevant for the application of such molecules in molecular electronics and provides a solid foundation for identifying modifications in the electronic structure induced by various substituent groups.
Avdelning/ar
Publiceringsår
2005
Språk
Engelska
Publikation/Tidskrift/Serie
Journal of Chemical Physics
Volym
122
Issue
21
Dokumenttyp
Artikel i tidskrift
Förlag
American Institute of Physics (AIP)
Ämne
- Natural Sciences
- Physical Sciences
Status
Published
ISBN/ISSN/Övrigt
- ISSN: 0021-9606