Calculation of Potential Energy for Fe Atom around Entrance of (10,0) Carbon Nanotube

この論文にアクセスする

この論文をさがす

著者

抄録

The structure of carbon nanotubes constitutes graphene sheets that are rolled to form cylinders with extremely small diameters. It is interesting to investigate the interaction between single-walled carbon nanotubes and an Fe atom because such nanotubes are fabricated with the aid of metal catalysts (Fe, Co, etc). Using an <I>ab initio</I> program <I>DMol</I><SUP>3</SUP>, we have calculated the total energy of a system of (10,0) nanotube incorporated with an Fe atom. We have determined the most stable position of Fe near the entrance of the nanotube and the potential map for that position.

収録刊行物

  • Materials transactions  

    Materials transactions 47(10), 2462-2464, 2006-10-20 

    The Japan Institute of Metals and Materials

参考文献:  12件

参考文献を見るにはログインが必要です。ユーザIDをお持ちでない方は新規登録してください。

各種コード

  • NII論文ID(NAID)
    10018310019
  • NII書誌ID(NCID)
    AA1151294X
  • 本文言語コード
    ENG
  • 資料種別
    ART
  • ISSN
    13459678
  • NDL 記事登録ID
    8091614
  • NDL 雑誌分類
    ZP41(科学技術--金属工学・鉱山工学)
  • NDL 請求記号
    Z53-J286
  • データ提供元
    CJP書誌  NDL  J-STAGE 
ページトップへ