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Tonnam Balankura edited The_PMF_profile_of_the__.tex
almost 9 years ago
Commit id: fca323c310623db53a7daa42d3a294be9fbca3fb
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The
calculated PMF profile of the Ag atom along the orthogonal axis of the Ag slab with Ag100 and Ag111 surfaces is shown in Fig. \ref{fig:pmf}. The Ag atom approaching the surface goes through the PMF profile from the right to left. On the far right, the PMF is a flat maxima, which is where the Ag atom is in bulk solvent. As the Ag atom move closer to the surface, it interacts with the PVP monolayer
where which causes the PMF
declines to decline from the flat maxima. The PMF declines until it reaches a local basin trapped by an energy barrier, which is
caused by the hindering effect of the network of PVP anchored on the surface as observed in the \textit{in-silico} deposition trajectories. Once the Ag atom overcomes the energy barrier, it reaches an energy minimum where the Ag atom is absorbed onto the surface.