非経験的分子軌道法支援によるアモルファス窒化炭素膜の化学結合状態解析 : X線光電子スペクトルの解釈 Chemical Bonding States Analysis of Amorphous Carbon Nitride Films Supported by Ab-Initio Molecular Orbital Methods : Interpretation of X-ray Photoelectron Spectra

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Reasonable peak assignments of N 1<i>s</i> and C 1<i>s</i> X-ray photoelectron spectra in amorphous carbon nitrides (a-CN) were determined by ab-initio molecular orbital (MO) calculations. We calculated the binding energies of model molecules representing the components in a-CN. N 1<i>s</i> and C 1<i>s</i> spectra were deconvoluted into four and five peaks, respectively. We propose the following assignment for these peaks in N 1<i>s</i> and C 1<i>s</i> spectra. Peaks of N 1<i>s</i> spectra located at around (N-1) 398.5, (N-2) 399.9, (N-3) 400.2 and (N-4) 402.2eV were assigned, respectively, to (N-1) pyridine structure and β-C<SUB>3</SUB>N<SUB>4</SUB>, (N-2) nitril groups, (N-3) sp<SUP>3</SUP>N in graphite structure and sp<SUP>2</SUP>N in aliphatic structure, and (N-4) nitroso groups. Peaks of C 1<i>s</i> spectra located at around (C-1) 284.5, (C-2) 285.5, (C-3) 286.6, (C-4) 287.0 and (C-5) 288.0eV were assigned, respectively, to (C-1) sp<SUP>3</SUP>C, sp<SUP>2</SUP>C and sp<SUP>3</SUP>C in bonds between carbon and carbon, (C-2) spC, sp<SUP>2</SUP>C and sp<SUP>3</SUP>C in bonds between carbon and nitrogen or oxygen, (C-3) sp<SUP>2</SUP>C and sp<SUP>3</SUP>C in bonds between carbon and nitrogen or oxygen (C-4) ketone groups and β-C<SUB>3</SUB>N<SUB>4</SUB>, and (C-5) carboxyl groups. We monitored the changes in spectra induced by vacuum ultraviolet (VUV) irradiation on a-CN. Only our peak assignments provided a reasonable interpretation of the spectral changes.

収録刊行物

  • 表面技術 = The journal of the Surface Finishing Society of Japan

    表面技術 = The journal of the Surface Finishing Society of Japan 54(11), 769-775, 2003-11-01

    The Surface Finishing Society of Japan

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各種コード

  • NII論文ID(NAID)
    10012548966
  • NII書誌ID(NCID)
    AN1005202X
  • 本文言語コード
    JPN
  • 資料種別
    ART
  • ISSN
    09151869
  • NDL 記事登録ID
    6781502
  • NDL 雑誌分類
    ZP41(科学技術--金属工学・鉱山工学)
  • NDL 請求記号
    Z17-291
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