Theoretical study of isolated dangling bonds, dangling bond wires, and dangling bond clusters on a H : Si(001)-(2x1) surface
نویسنده
چکیده
منابع مشابه
International Journal of Molecular Sciences 2001, 2, 40-56
We report density functional electronic structure calculations to monitor the change in the surface characteristics of the Si (100)-2x1 surface after fluorination followed by interaction with water. Embedded finite silicon clusters are used to model an extended Si (100)-2x1 surface. Two high symmetry pathways and subsequent adsorption sites were examined: (i) adsorption of an fluorine atom dire...
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