Photo-controllable percolation of decorated nanoparticles in a nanopore: molecular dynamics simulation study

Ilnytskyi J., Slyusarchuk A., Saphiannikova M.
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By means of molecular dynamics simulations we study formation of the wall-to-wall percolation cluster in the solution of decorated nanoparticles in a pore. The model takes into account photo-switching between unpolar \trans\ and polar \cis-isomers of azobenzene. This leads to either colloidal dispersion of the particles or their aggregation in a polar solvent. The dynamics of percolation cluster formation is analysed by applying a pulse-like illumination. We found that the wall-to-wall percolation is subject to the competition between nanoparticles aggregation, wall adsorption and microphase separation of the nanoparticles.
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Math. Model. Comput. Vol.3, No.1, pp.33-42 (2016)