淡江大學機構典藏:Item 987654321/25347
English  |  正體中文  |  简体中文  |  全文笔数/总笔数 : 62822/95882 (66%)
造访人次 : 4026312      在线人数 : 1248
RC Version 7.0 © Powered By DSPACE, MIT. Enhanced by NTU Library & TKU Library IR team.
搜寻范围 查询小技巧：
  • 您可在西文检索词汇前后加上"双引号"，以获取较精准的检索结果
  • 若欲以作者姓名搜寻，建议至进阶搜寻限定作者字段，可获得较完整数据
    •  进阶搜寻


    jsp.display-item.identifier=請使用永久網址來引用或連結此文件: https://tkuir.lib.tku.edu.tw/dspace/handle/987654321/25347


    题名: The dependence of dynamic variables on gas-surface reactivity during direct dissociative adsorption of GeH4 onto Ge(0 0 1) surface
    作者: 林志興;Lin, Jyh-shing;Chou, Wen-Chi
    贡献者: 淡江大學化學學系
    日期: 2004-07-01
    上传时间: 2009-12-01
    出版者: Elsevier
    摘要: Density functional total energy calculations in connection with ultrasoft pseudopotentials and generalized gradient approximation for exchange and correlation have been used to investigate (1) the energy profile for direct dissociative adsorption of GeH4 on a Ge(001) surface along two possible reaction pathways, namely an adjacent two dimers mode and a single dimer mode, and (2) the influence of their transition states on the gas-surface reactivity along these two reaction pathways. Our calculated results found that the gas-surface reactivity along the reaction pathway of the single dimer mode is slightly higher than that along the reaction pathway of the adjacent two dimers mode. We attribute this higher gas-surface reactivity to forming a 4-center ring transition state structure accompanied by a smaller distortion of the Ge–H bond within GeH4 and a smaller elongation of the GeGe dimers on the Ge(001) surface. In addition, our calculated results suggest that there should be a larger increase of gas-surface reactivity along the reaction pathway of the adjacent two dimers mode with increasing substrate temperature. This is due to the fact that there are vibrational modes of lower frequency of longer GeGe dimers on the Ge(001) surface involved in a 7-center ring transition state structure. Finally, some connections between the two transition state structures and the molecular beam experimental data are discussed.
    關聯: Surface Science 560(1-3), pp.79-87
    DOI: 10.1016/j.susc.2004.04.044
    显示于类别:[化學學系暨研究所] 期刊論文

    文件中的档案:

    档案 描述 大小格式浏览次数
    0KbUnknown354检视/开启
    The dependence of dynamic variables on gas-surface reactivity during direct dissociative adsorption of GeH4 onto Ge(0 0 1) surface.pdf483KbAdobe PDF2检视/开启

    在機構典藏中所有的数据项都受到原著作权保护.

    TAIR相关文章

    DSpace Software Copyright © 2002-2004  MIT &  Hewlett-Packard  /   Enhanced by   NTU Library & TKU Library IR teams. Copyright ©   - 回馈