Ultraviolet photoelectron spectroscopy of fullerenes C-60 and C-70 : A model study

• Geometrical optimizations of two fullerenes, C-60 and C-70, have been performed by means of density-functional theory techniques. Based on the Gelius model, ultraviolet photoelectron spectra (UPS) Of C-60 and C-70 have been simulated. We have shown how the different local arrangements of carbon atoms of C-70 are responsible for the spectra. Our calculated spectra are in good agreement with the experimental counterparts.

Nyckelord

ultraviolet photoelectron spectroscopy

fullerene

density-functional theory

Gelius model

density

spectra

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