Nonthermally Accessible Phase for CO on the Si(100) Surface.
D. Hu, W. Ho, X. Chen, S. Wang, William A. Goddard III
1997Phys. Rev. Lett., 78(6), 1178–118131cited
Abstract
A new phase $\mathrm{BT}\ensuremath{-}\mathrm{C}\mathrm{O}$ on Si(100), not accessible with thermal CO (which leads to the $T\ensuremath{-}\mathrm{C}\mathrm{O}$ phase), has been observed using an energetic molecular beam of CO and characterized by first principles quantum chemical methods. The $\mathrm{BT}$ phase is composed of bridge $(B)$ and terminal $(T)$ sites; it is driven and stabilized by cooperative electrostatic interactions that result because $B$ $(T)$ binding leads to the transfer of charge away from (toward) the surface. Desorption of CO from the $B$ site proceeds through the $T$ configuration.
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Cite this publication
Hu, D., Ho, W., Chen, X., Wang, S., & III, W. A. G. (1997). Nonthermally Accessible Phase for CO on the Si(100) Surface.. *Phys. Rev. Lett.*, *78*(6), 1178–1181. https://doi.org/10.1103/PhysRevLett.78.1178