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\section{Introduction} |
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In a recent series of experiments, Li, Lieberman, and Hill found some |
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remarkable differences in the coverage of Gold (111) surfaces by a |
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remarkable differences in the coverage of Au (111) surfaces by a |
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related set of silicon phthalocyanines.\cite{Li2001} The molecules |
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come in two basic varieties, the ``octopus,'' which has eight thiol |
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groups distributed around the edge of the molecule, and the |
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the thiol groups. In the continuum case, the landers could attach |
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anywhere on the surface. For the lattice-based RSA simulations, an |
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underlying gold hexagonal closed packed (hcp), lattice was employed. |
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The thiols attach at the interstitial locations between three gold |
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The thiols attach at the three-fold hollow locations between three gold |
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atoms on the Au (111) surface,\cite{Li2001} giving a trigonal (i.e. |
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graphitic) underlying lattice for the RSA simulations that is |
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illustrated in Fig. \ref{rsaFig:hcp_lattice}. The hcp nearest neighbor |
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\begin{figure} |
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\centering |
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\includegraphics[width=\linewidth]{hcp_lattice.eps} |
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\caption[Depiction of the hcp interstitial sites]{The model thiol groups attach at the interstitial sites in |
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\caption[Depiction of the hcp three-fold hollow sites]{The model thiol groups attach at the three-fold hollow sites in |
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the Au (111) surface. These sites are arranged in a graphitic |
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trigonal lattice.} |
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\label{rsaFig:hcp_lattice} |
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umbrella molecule simulation, and the octopus model simulation. In |
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the case of the umbrella molecule, the surface coverage was tracked by |
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multiplying the number of succesfully landed particles by the area of |
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its circular top. This number was then divided by the total surfacew |
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its circular top. This number was then divided by the total surface |
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area of the plane, to obtain the fractional coverage. In the case of |
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the umbrella molecule, a scanning probe algorithm was used. Here, a |
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$1\mbox{\AA} \times 1\mbox{\AA}$ probe was scanned along the surface, |
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Table \ref{rsaTab:coverage}. |
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|
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\begin{table} |
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\caption[RSA experimental comparison]{Ratio of Monolayer Sulfur atoms to Gold surface atoms} |
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\caption[RSA experimental comparison]{RATIO OF MONOLAYER SULFUR ATOMS TO GOLD SURFACE ATOMS} |
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\label{rsaTab:coverage} |
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\begin{center} |
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\begin{tabular}{|l|l|l|} |