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Ultraviolet photoelectron spectroscopy of fullerenes C-60 and C-70: A model study
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2006 (English)In: Gaoneng wuli yu he wuli, ISSN 0254-3052, Vol. 30, no 4, 368-370 p.Article in journal (Refereed) Published
Abstract [en]

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.
Keyword [en]
ultraviolet photoelectron spectroscopy, fullerene, density-functional theory, Gelius model, density, spectra
URN: urn:nbn:se:kth:diva-15577ISI: 000236527100019ScopusID: 2-s2.0-33645948792OAI: diva2:333618
QC 20100525Available from: 2010-08-05 Created: 2010-08-05Bibliographically approved

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Luo, Yi
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Theoretical Chemistry
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