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(Color online) Complex structures and Mulliken populations of (a) benzenethiol silicon and (b) uracil silicon. Tether atoms with electronegativities larger than that of silicon atom create potential barriers between the organic molecules and silicon surface.
(Color online) Complex structures and Mulliken populations of (a) noncyclical attachment of onto silicon surface through C–Si linkage and (b) cyclical attachment of phenyl onto the surface of silicon through C–Si linkage. The standby nitrogen atom has a larger electronegativity than that of tether atom. This leads to the elimination of the potential barrier created by the tether atom.
(Color online) Design methodology for noncyclical attachment of organic molecules onto the surface of silicon. The dashed line is the reference line for sillicon surface. Tether atoms above this line create potential barriers between the organic molecules and the silicon surface for electrons. To eliminate the barriers created by the tether atoms above this line, a cyclical attachment structure with a standby atom, with a larger electronegativity than that of the tether atom, is required.
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