Ultraviolet photoelectron spectroscopy and inverse photoemission spectroscopy of [6,6]-phenyl-C{sub 61}-butyric acid methyl ester in gas and solid phases
- Department of Chemistry, Graduate School of Science, Nagoya University, Furo-cho, Chikusa-ku, Nagoya 464-8602 (Japan)
- Research Center for Materials Science, Nagoya University, Furo-cho, Chikusa-ku, Nagoya 464-8602 (Japan)
- Institute for Chemical Research, Kyoto University, Uji, Kyoto 611-0011 (Japan)
The electronic structure of [6,6]-phenyl-C{sub 61}-butyric acid methyl ester (PCBM) was studied using ultraviolet photoelectron spectroscopy of vapor and thin film and inverse photoemission spectroscopy of thin film. The threshold ionization energy of PCBM was found to be 7.17{+-}0.04 eV in gas phase and 5.96{+-}0.02 eV in solid phase. The threshold electron affinity was 3.9{+-}0.1 eV in solid phase. These values are 0.4-0.6 eV smaller than C{sub 60}. The density functional theory calculations gave consistent results with these trends and suggested that the electron donation from the side chain to C{sub 60} backbone raised the C{sub 60}-backbone-derived {pi} orbitals of PCBM. The polarization energy of PCBM is 1.21 eV, which is almost the same as C{sub 60} but is about 0.5 eV smaller than the value of typical aromatic hydrocarbons.
- OSTI ID:
- 21137401
- Journal Information:
- Journal of Applied Physics, Vol. 104, Issue 2; Other Information: DOI: 10.1063/1.2957588; (c) 2008 American Institute of Physics; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-8979
- Country of Publication:
- United States
- Language:
- English
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