Spectral change of simulated X-ray photoelectron spectroscopy from graphene to fullerene

  title={Spectral change of simulated X-ray photoelectron spectroscopy from graphene to fullerene},
  author={Jungpil Kim and Yasuhiro Yamada and Miki Kawai and Takehiro Tanabe and Satoshi Sato},
  journal={Journal of Materials Science},
C1s X-ray photoelectron spectroscopy (XPS) spectra of graphene with two to eight pentagons and fullerene pentagons were simulated using density functional theory calculation. Peak shifts and full width at half maximum (FWHM) of calculated C1s spectra were compared with those of actual C1s spectra. Introduction of up to four isolated pentagons had no influence on shifts of the calculated peak maxima of graphene (284.0 eV), whereas the introduction of six or more pentagons shifted the calculated… 
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