Abstract
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.
| Original language | English |
|---|---|
| Pages (from-to) | 981-985 |
| Number of pages | 5 |
| Journal | Computational Materials Science |
| Volume | 45 |
| Issue number | 4 |
| DOIs | |
| State | Published - Jun 2009 |
Keywords
- Atomistic simulation
- Composite
- Interface
- Mesoscale simulation
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