Chinese Physics C > 2006, Vol. 30 > Issue(4): 368-370

Ultraviolet Photoelectron Spectroscopy of Fullerenes C₆₀and C₇₀:A Model Study

Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049, China2 Department of Physics, Zhejiang University, Hangzhou 310027, China3 Theoretical Chemistry, Royal Institute of Technology, AlbaNova, Stockholm S-106 91, Sweden4 Institute of Chemistry, Chinese Academy of Sciences, Beijing 100080, China5 National Center for Nanoscience and Technology, Beijing 100080, China

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

References

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GAO Bin, ZHONG Jun, LIU Lei, LI Hong-Nian, LUO Yi, WANG Chun-Ru and WU Zi-Yu. Ultraviolet Photoelectron Spectroscopy of Fullerenes C ₆₀and C ₇₀:A Model Study[J]. Chinese Physics C, 2006, 30(4): 368-370.

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Received: 2005-08-22
Revised: 2005-10-19

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沈阳化工大学材料科学与工程学院沈阳 110142

Ultraviolet Photoelectron Spectroscopy of Fullerenes C₆₀and C₇₀:A Model Study

Corresponding author:WU Zi-Yu,

Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049, China2 Department of Physics, Zhejiang University, Hangzhou 310027, China3 Theoretical Chemistry, Royal Institute of Technology, AlbaNova, Stockholm S-106 91, Sweden4 Institute of Chemistry, Chinese Academy of Sciences, Beijing 100080, China5 National Center for Nanoscience and Technology, Beijing 100080, China

Received Date:2005-08-22

Accepted Date:2005-10-19

Available Online:2006-04-05

Abstract:Geometrical optimizations of two fullerenes, C₆₀and C₇₀, have been performed by means of density-functional theory techniques. Based on the Gelius model, ultraviolet photoelectron spectra (UPS) of C₆₀and C₇₀have been simulated. We have shown how the different local arrangements of carbon atoms of C₇₀are responsible for the spectra. Our calculated spectra are in good agreement with the experimental counterparts.

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Ultraviolet Photoelectron Spectroscopy of Fullerenes C₆₀and C₇₀:A Model Study

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