Photoelectron spectroscopy of Sc 3N@C 78

Shojun Hino, Masashi Zenki, Takeyuki Zaima, Yusuke Aoki, Sosuke Okita, Tomona Ohta, Hajime Yagi, Takafumi Miyazaki, Ryohei Sumii, Haruya Okimoto, Yasuhiro Ito, Hisanori Shinohara

Research output: Contribution to journalArticle

6 Citations (Scopus)


Ultraviolet photoelectron spectra (UPS) and X-ray photoelectron spectra (XPS) of Sc 3N@C 78 are measured. The upper valence band UPS differ significantly from those of Ti 2C 2@C 78 or La 2@C 78, although their cage symmetry is the same D 3h. Chemical shift of the XPS of Sc 2p supports a much less oxidation state than +3, possibly +1 state, and that of N 1s suggests excess electrons on the N atom, presumably N 1- oxidation state. Simulation spectra calculated by density functional theory on an optimized structure starting from D 3h geometry reproduces the UPS very well, which supports the theoretically proposed structure of Sc 3N@C 78.

Original languageEnglish
Pages (from-to)165-170
Number of pages6
JournalJournal of Physical Chemistry C
Issue number1
Publication statusPublished - Jan 12 2012
Externally publishedYes

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Energy(all)
  • Physical and Theoretical Chemistry
  • Surfaces, Coatings and Films

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    Hino, S., Zenki, M., Zaima, T., Aoki, Y., Okita, S., Ohta, T., Yagi, H., Miyazaki, T., Sumii, R., Okimoto, H., Ito, Y., & Shinohara, H. (2012). Photoelectron spectroscopy of Sc 3N@C 78 Journal of Physical Chemistry C, 116(1), 165-170.