PHYS 461 |
| Cl adsorption on Si(111)-√3x√3- Ag surface was studied within the frame of density functional theory. Adsorption structures and energetics of 10 typical adsorption sites were studied. The result shows that Cl adsorption will not significantly alter the surface atomic structure. Cl will interact with as much surface Ag atoms as possible to yield a stable adsorption structure. The most stable structure is Cl sitting upon the center of small Ag trimer. And Cl-surface binding energy is found to be smaller than the energy for Cl to absorb on Ag (111) surface, which implies the Cl adsorption is weakened. The energy difference for Cl absorb is only about 0.1 eV. |
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PHYS Poster Session - Nanostructured Materials and Nanophotonics
7:30 PM-10:00 PM, Wednesday, April 9, 2008 Morial Convention Center -- Hall A, Poster
Division of Physical Chemistry |