Mesoscopic structure prediction of nanoparticle assembly and coassembly: Theoretical foundation
- Mesoscopic structure prediction of nanoparticle assembly and coassembly: Theoretical foundation
- 허가현; Richard G. Hennig; Fernando A. Escobedo; Ulrich Wiesner
- Issue Date
- The Journal of chemical physics
- VOL 133, NO 19, 194108-1-194108-12
- In this work, we present a theoretical framework that unifies polymer field theory and density
functional theory in order to efficiently predict ordered nanostructure formation of systems having considerable complexity in terms of molecular structures and interactions.We validate our approach by comparing its predictions with previous simulation results for model systems. We illustrate the flexibility of our approach by applying it to hybrid systems composed of block copolymers and ligand coated nanoparticles. We expect that our approach will enable the treatment of multicomponent self-assembly with a level of molecular complexity that approaches experimental systems.
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