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Electronic structure of pristine CuPc: Experiment and calculations
- Source :
- Applied Surface Science. 254:20-25
- Publication Year :
- 2007
- Publisher :
- Elsevier BV, 2007.
-
Abstract
- The filled and unoccupied electronic states of the organic semiconductor copper-phthalocyanine (CuPc) have been determined by a combination of direct and resonant photoemission, near-edge X-ray absorption and first principles calculations. The experimentally obtained electronic states of CuPc are in very good agreement with results of ab initio density of states, allowing to derive detailed site specific information.
- Subjects :
- Extended X-ray absorption fine structure
Chemistry
Analytical chemistry
Ab initio
General Physics and Astronomy
Surfaces and Interfaces
General Chemistry
Electronic structure
Condensed Matter Physics
Molecular physics
XANES
Surfaces, Coatings and Films
Organic semiconductor
Condensed Matter::Materials Science
Ab initio quantum chemistry methods
Density of states
Condensed Matter::Strongly Correlated Electrons
Absorption (electromagnetic radiation)
Subjects
Details
- ISSN :
- 01694332
- Volume :
- 254
- Database :
- OpenAIRE
- Journal :
- Applied Surface Science
- Accession number :
- edsair.doi...........56fa0d9fd0527fc5c623bf5b62193fb8
- Full Text :
- https://doi.org/10.1016/j.apsusc.2007.07.096