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

5 Citations (Scopus)

Abstract

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
Volume116
Issue number1
DOIs
Publication statusPublished - Jan 12 2012
Externally publishedYes

Fingerprint

Photoelectron spectroscopy
Photoelectrons
photoelectron spectroscopy
photoelectrons
X rays
Oxidation
Chemical shift
Valence bands
oxidation
Density functional theory
chemical equilibrium
tulobuterol
x rays
Atoms
Geometry
Electrons
density functional theory
valence
symmetry
geometry

ASJC Scopus subject areas

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

Cite this

Hino, S., Zenki, M., Zaima, T., Aoki, Y., Okita, S., Ohta, T., ... Shinohara, H. (2012). Photoelectron spectroscopy of Sc 3N@C 78 . Journal of Physical Chemistry C, 116(1), 165-170. https://doi.org/10.1021/jp207637k

Photoelectron spectroscopy of Sc 3N@C 78 . / Hino, Shojun; Zenki, Masashi; Zaima, Takeyuki; Aoki, Yusuke; Okita, Sosuke; Ohta, Tomona; Yagi, Hajime; Miyazaki, Takafumi; Sumii, Ryohei; Okimoto, Haruya; Ito, Yasuhiro; Shinohara, Hisanori.

In: Journal of Physical Chemistry C, Vol. 116, No. 1, 12.01.2012, p. 165-170.

Research output: Contribution to journalArticle

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, vol. 116, no. 1, pp. 165-170. https://doi.org/10.1021/jp207637k
Hino S, Zenki M, Zaima T, Aoki Y, Okita S, Ohta T et al. Photoelectron spectroscopy of Sc 3N@C 78 . Journal of Physical Chemistry C. 2012 Jan 12;116(1):165-170. https://doi.org/10.1021/jp207637k
Hino, Shojun ; Zenki, Masashi ; Zaima, Takeyuki ; Aoki, Yusuke ; Okita, Sosuke ; Ohta, Tomona ; Yagi, Hajime ; Miyazaki, Takafumi ; Sumii, Ryohei ; Okimoto, Haruya ; Ito, Yasuhiro ; Shinohara, Hisanori. / Photoelectron spectroscopy of Sc 3N@C 78 . In: Journal of Physical Chemistry C. 2012 ; Vol. 116, No. 1. pp. 165-170.
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