Electronic structure of a vapor-deposited metal-free phthalocyanine thin film
2005 (English)In: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 122, no 21Article in journal (Refereed) Published
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.
Place, publisher, year, edition, pages
2005. Vol. 122, no 21
ray photoelectron-spectroscopy, light-emitting devices, valence-band, absorption-spectra, naphthalocyanine, h-2-phthalocyanine, porphyrazine, distinction, porphyrins, resolution
IdentifiersURN: urn:nbn:se:kth:diva-14819DOI: 10.1063/1.1924539ISI: 000229700600057ScopusID: 2-s2.0-21344450504OAI: oai:DiVA.org:kth-14819DiVA: diva2:332860
QC 201005252010-08-052010-08-052012-03-22Bibliographically approved