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Hs worms abgabe thesis

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Added: 02.06.2021
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Hydroxyl -OH terminated n-alkanethiols on gold show a two-dimensional zig-zag nature for the top hydrogen bonded network. We observe transfer of packing characteristics from top network to the buried ad-atom sulfur distribution quantified as occupancy percentages for atop, hollow fcc and hcp , and bridge sites. Employing validated metal potentials and all-atom molecular dynamics, we also quantify the dynamic correlation between the top layer end-functional and ad-layer thiol through variance in distribution peaks for nearest neighbors as a function of temperature. The hydrogen bond network and packing of the monolayer increases in strength with chain length for —OH terminated n-alkanethiols.
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