Ultraviolet photoelectron spectroscopy of fullerenes C-60 and C-70: A model study
2006 (English)In: Gaoneng wuli yu he wuli, ISSN 0254-3052, Vol. 30, no 4, 368-370 p.Article in journal (Refereed) Published
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.
Place, publisher, year, edition, pages
2006. Vol. 30, no 4, 368-370 p.
ultraviolet photoelectron spectroscopy, fullerene, density-functional theory, Gelius model, density, spectra
IdentifiersURN: urn:nbn:se:kth:diva-15577ISI: 000236527100019ScopusID: 2-s2.0-33645948792OAI: oai:DiVA.org:kth-15577DiVA: diva2:333618
QC 201005252010-08-052010-08-05Bibliographically approved