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EnglishDespite progress in theories and simulations, the structure prediction of self-assembled materials beyond simple model systems remains a grand challenge. In this work, we present a molecular modeling approach for predicting the nanostructure of hybrid systems based on AB diblock copolymers and nanoparticles decorated with A, B, or mixed A/B homopolymer ligands. Using mesoscopic simulations, we derived phase diagrams as a function of nanoparticle concentration and decoration.
| Titolo: | Modeling hierarchically structured nanoparticle/diblock copolymer systems |
| Autori: | |
| Data di pubblicazione: | 2013 |
| Rivista: | |
| Abstract: | Despite progress in theories and simulations, the structure prediction of self-assembled materials beyond simple model systems remains a grand challenge. In this work, we present a molecular modeling approach for predicting the nanostructure of hybrid systems based on AB diblock copolymers and nanoparticles decorated with A, B, or mixed A/B homopolymer ligands. Using mesoscopic simulations, we derived phase diagrams as a function of nanoparticle concentration and decoration. |
| Handle: | http://hdl.handle.net/11368/2706650 |
| Digital Object Identifier (DOI): | 10.1039/c2sm27360h |
| Appare nelle tipologie: | 1.1 Articolo in Rivista |
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