計算化学を用いたX線光電子分光分析による炭素材料の構造解析

• 山田 泰弘

  千葉大学大学院工学研究科

• 佐藤 智司

  千葉大学大学院工学研究科

書誌事項

タイトル別名

• Structural analysis of carbon materials by X-ray photoelectron spectroscopy using computational chemistry
• 受賞レビュー 計算化学を用いたX線光電子分光分析による炭素材料の構造解析
• ジュショウ レビュー ケイサン カガク オ モチイタ Xセン コウデン コブン コウブンセキ ニ ヨル タンソ ザイリョウ ノ コウゾウ カイセキ

抄録

X-ray photoelectron spectroscopy (XPS) has been frequently utilized to analyze the structures of carbon materials. However, few types of defects such as functional groups have been identified and reported, and some of these assignments are controversial. For example, the structures of oxygen-containing functional groups of carbon materials such as graphite oxide and graphene oxide are still under debate. Reported assignments for the C1s spectra of nitrogen-containing functional groups in carbon materials are few and there has been little discussion of such spectra. One effective method to clarify the structures of carbon materials in detail is simulation of XPS spectra using computational chemistry. This work explains the current problems for the XPS analysis of the C1s spectra of carbon materials and suggests the peak positions of various oxygen- and nitrogen-containing functional groups in addition to their full width at half maximum.

収録刊行物

• 炭素

  炭素 2015 (269), 181-189, 2015

  炭素材料学会

キーワード

• X-ray photoelectron spectroscopy (XPS)
• Oxygen
• Nitrogen
• Graphene
• Density functional theory (DFT) calculation

詳細情報

• CRID: 1390282679205624192
• NII論文ID: 130005100945
• NII書誌ID: AN00140335
• DOI: 10.7209/tanso.2015.181
• ISSN: 18845495
• ISSN: 03715345
• NDL書誌ID: 026742884
• Web Site: https://ndlsearch.ndl.go.jp/books/R000000004-I026742884
• Web Site: https://www.jstage.jst.go.jp/article/tanso/2015/269/2015_15703/_pdf
• 本文言語コード: ja
• データソース種別:
  • JaLC
  • NDL
  • Crossref
  • CiNii Articles
• 抄録ライセンスフラグ: 使用不可