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%While an ideal metallic surface is unlikely to experience much surface diffusion, high-index surfaces have large numbers of low-coordinated atoms which have a much easier time overcoming the energetic barriers limiting diffusion, leading to easier surface reconstructions. Surface movement was divided between the parallel ($\parallel$) and perpendicular ($\perp$) directions relative to the step edge. We were then able to calculate diffusion constants as a function of CO coverage. As can be seen in Table 4, the presence and amount of CO directly affects the diffusion constants of surface platinum atoms. The presence of two 50\% coverage systems is to show how the diffusion process is affected by time. The majority of the systems were run for approximately 50 ns while the half monolayer system has been running continuously. The lowered diffusion constant at longer run times will be examined in-depth in the discussion section. |
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\begin{figure}[H] |
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\includegraphics[scale=0.6]{DiffusionComparison_errorXY.pdf} |
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\includegraphics[width=\linewidth]{DiffusionComparison_errorXY_remade.pdf} |
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\caption{Diffusion constants for mobile surface atoms along directions |
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parallel ($\mathbf{D}_{\parallel}$) and perpendicular |
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($\mathbf{D}_{\perp}$) to the 557 step edges as a function of CO |
