Ultraviolet Photoelectron Spectroscopy of Fullerenes C60 and C70:A Model Study
- Received Date: 2005-08-22
- Accepted Date: 2005-10-19
- Available Online: 2006-04-05
Abstract: Geometrical optimizations of two fullerenes, C60 and C70, have been performed by means of density-functional theory techniques. Based on the Gelius model, ultraviolet photoelectron spectra (UPS) of C60 and C70 have been simulated. We have shown how the different local arrangements of carbon atoms of C70 are responsible for the spectra. Our calculated spectra are in good agreement with the experimental counterparts.