Mesoscopic structure prediction of nanoparticle assembly and coassembly: Theoretical foundation

Title
Mesoscopic structure prediction of nanoparticle assembly and coassembly: Theoretical foundation
Authors
허가현Richard G. HennigFernando A. EscobedoUlrich Wiesner
Issue Date
2010-11
Publisher
The Journal of chemical physics
Citation
VOL 133, NO 19, 194108-1-194108-12
Abstract
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.
URI
http://pubs.kist.re.kr/handle/201004/47906
ISSN
00219606
Appears in Collections:
KIST Publication > Article
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