Molecular dynamics simulations of electrostatic layer-by-layer self- assembly
V Panchagnula and J Jeon and AV Dobrynin, PHYSICAL REVIEW LETTERS, 93, 037801 (2004).
Electrostatic assembly of multilayered thin films through sequential adsorption of polyions in layer-by-layer fashion utilizes the strong electrostatic attraction between oppositely charged molecules. We perform molecular dynamics simulations of multilayers of flexible polyelectrolytes around a charged spherical particle. Our simulations establish that the charge reversal after each deposition step is a crucial factor for the steady layer growth. The multilayers appear to be nonequilibrium structures.
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