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A Molecular Simulation Approach to the Prediction of the Morphology of Self-Assembled Nanoparticles in Diblock Copolymers
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SYSNO ASEP 0352969 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title A Molecular Simulation Approach to the Prediction of the Morphology of Self-Assembled Nanoparticles in Diblock Copolymers Author(s) Posocco, P. (IT)
Posel, Z. (CZ)
Fermeglia, M. (IT)
Lísal, Martin (UCHP-M) RID, ORCID, SAI
Pricl, S. (IT)Source Title Journal of Materials Chemistry. - : ROYAL SOC CHEMISTRY - ISSN 0959-9428
Roč. 20, č. 46 (2010), s. 10511-10520Number of pages 10 s. Language eng - English Country GB - United Kingdom Keywords diblock copolymers ; nanoparticles ; computer simulation Subject RIV CF - Physical ; Theoretical Chemistry R&D Projects GA203/08/0094 GA ČR - Czech Science Foundation (CSF) KAN400720701 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR) CEZ AV0Z40720504 - UCHP-M (2005-2011) UT WOS 000284266600026 DOI 10.1039/c0jm01561j Annotation Mixing microphase-separating diblock copolymers and nanoparticles can lead to the self-assembly of organic/inorganic hybrid materials that are spatially organized on the nanometre scale. Controlling particle location and patterns within the polymeric matrix domains remains, however, an unmet need. Computer simulation of such systems constitutes an interesting challenge since an appropriate technique would require the capturing of both the formation of the diblock mesophases and the copolymer–particle and particle–particle interactions, which can affect the ultimate structure of the material. Workplace Institute of Chemical Process Fundamentals Contact Eva Jirsová, jirsova@icpf.cas.cz, Tel.: 220 390 227 Year of Publishing 2011
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