Nanoscale patterns engraved on the bulk monolayer of 1-decanethiol were examined using molecular dynamics simulations. The smallest widths required for stable circular and linear engravings were found to be 3.2 and 2.4 nm, respectively. The minimum separations possible without merging for circular and linear trenches were 2.0 and 2.6 nm, respectively. These values set the ultimate the size limit and spatial resolution for engraving the alkanethiol monolayer.
Simulation methodsThe CH 3 , CH 2 and SH groups of DT were treated as united atoms 36,37 to save simulation time without losing the accuracy of