高等学校化学学报 ›› 1998, Vol. 19 ›› Issue (3): 455.

• 研究快报 • 上一篇    下一篇

C60离子撞击固体表面的坍塌和沉积(Ⅲ)——量子化学从头算研究

林梦海, 陆云鹏, 唐紫超, 郑兰荪   

  1. 厦门大学化学系、物理化学研究所、固体表面物理化学国家重点实验室, 厦门, 361005
  • 收稿日期:1997-10-20 出版日期:1998-03-24 发布日期:1998-03-24
  • 通讯作者: 林梦海,女,51岁,副教授.
  • 作者简介:林梦海,女,51岁,副教授.
  • 基金资助:

    国家自然科学基金资助课题.

Collapsed Deposition of Accelerated C60 Beam on Solid Surfaces(Ⅲ)——ab initio Calculation of Quantum Chemistry

LIN Meng-Hai, LU Yun-Peng, TANG Zi-Chao, ZHENG Lan-Sun   

  1. Department of Chemistry, Physical Chemistry Research Institute, State Key Laboratory for Physical Chemistry of Solid Surfaces, Xiamen University, Xiamen, 361005
  • Received:1997-10-20 Online:1998-03-24 Published:1998-03-24

关键词: C60, 坍塌, 沉积, 从头算

Abstract: C60 molecule was absorbed on the Au(Ⅲ) surface and studied by ab initio calculations. It may be formed plane shaped molecule C45 or C48, and plane shaped C60 (C5v) or hill shape C60 (C6v), if added more carbon atoms.

Key words: C60, Collapse, Deposition, ab initio

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