Nonthermally Accessible Phase for CO on the Si(100) Surface

نویسندگان

  • Deqing Hu
  • Wilson Ho
  • Xiaojie Chen
  • Song Wang
  • William A. Goddard
چکیده

A new phase BT -CO on Si(100), not accessible with thermal CO (which leads to the T -CO phase), has been observed using an energetic molecular beam of CO and characterized by first principles quantum chemical methods. The BT phase is composed of bridge sBd and terminal sT d sites; it is driven and stabilized by cooperative electrostatic interactions that result because B sT d binding leads to the transfer of charge away from (toward) the surface. Desorption of CO from the B site proceeds through the T configuration. [S0031-9007(97)02377-6]

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تاریخ انتشار 1997