The Journal of Physical Chemistry B · 2006 · 24 citations · 23 references
Natural SciencesMaterials EngineeringMaterials ScienceNanomaterialsNanotechnologySurface ScienceIntermolecular ForcesMolecular DynamicsNanostructured SurfacesSelf-assembled MaterialsSelf-assemblySurface KineticsBinding StrengthDeposition RateDiffusion TheoryFilm Growth MechanismsMonolayersSelf-assembled MonolayersSelf-assembly KineticsThin-film Growth Kinetics
Using molecular dynamics simulations, we studied the growth mechanism of self-assembled monolayers in dip-pen nanolithography. A molecule dropping from the tip kicks out a molecule sitting on the substrate, and the displaced molecule in turn kicks out a molecule next to it. This kicking propagates and finally stops when it hits the periphery of the monolayer. This monolayer growth is faster than predicted from the previous diffusion theory. Increasing the molecule-substrate binding strength enhances the molecular deposition rate and makes the monolayer well-ordered.
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Molecular dynamics with coupling to an external bath
Herman J. C. Berendsen, Johan P. M. Postma, Wilfred F. van Gunsteren et al. · The Journal of Chemical Physics · 1984 · 31K citations · Full text
Natural Sciences, Chemistry, Physics +17
Computer Simulation of Liquids
S. P, K. J · Journal of Molecular Liquids · 1988 · 15.9K citations