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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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    0352969 - ÚCHP 2011 RIV GB eng J - Journal Article
    Posocco, P. - Posel, Z. - Fermeglia, M. - Lísal, Martin - Pricl, S.
    A Molecular Simulation Approach to the Prediction of the Morphology of Self-Assembled Nanoparticles in Diblock Copolymers.
    Journal of Materials Chemistry. Roč. 20, č. 46 (2010), s. 10511-10520. ISSN 0959-9428
    R&D Projects: GA ČR GA203/08/0094; GA AV ČR KAN400720701
    Grant - others:EC(XE) TD0802/OC10053
    Institutional research plan: CEZ:AV0Z40720504
    Keywords : diblock copolymers * nanoparticles * computer simulation
    Subject RIV: CF - Physical ; Theoretical Chemistry
    Impact factor: 5.101, year: 2010

    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.
    Permanent Link: http://hdl.handle.net/11104/0006214

     
     
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