Atomistic and mesoscale interface simulation of graphite nanosheet/AgCl/polypyrrole composite

Interfaces of graphite nanosheet/AgCl/Polypyrrole (NanoG/AgCl/PPy) composite have been researched by atomistic and mesoscale simulations. The results showed that the three-component nanocomposites were formed on the basis of van der Waals interfacial interactions between two components (except between NanoG and AgCl). PPy played a key role of adhesive, which combine with NanoG and AgCl separately through strong advantaged interfaces. So the three-components could form nanocomposite as a whole in mesoscale. Quantitative analysis of density and potential distributions of NanoG/AgCl/PPy composites showed that they had proper potential interfaces and uniform distribution. The NanoG well dispersed in PPy matrix, and the matrix was decorated by core-shell nanoparticles with AgCl as the core and PPy as the conducting shell.