2017
DOI: 10.1063/1.4990501
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Perspective: Outstanding theoretical questions in polymer-nanoparticle hybrids

Abstract: This topical review discusses the theoretical progress made in the field of polymer nanocomposites, i.e., hybrid materials created by mixing (typically inorganic) nanoparticles (NPs) with organic polymers. It primarily focuses on the outstanding issues in this field and is structured around five separate topics: (i) the synthesis of functionalized nanoparticles; (ii) their phase behavior when mixed with a homopolymer matrix and their assembly into well-defined superstructures; (iii) the role of processing on t… Show more

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Cited by 167 publications
(151 citation statements)
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References 327 publications
(364 reference statements)
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“…Note that the structure of the polymer chains could have a pronounced effect on the performance of PNCs, by mainly controlling the dispersion state or the spatial distribution of NPs in the polymer matrix. [18][19][20][21][22] However, it is extremely difficult to produce well-dispersed states of immiscible inorganic NPs in a polymer matrix. At the same time, a good NP dispersion has been shown 23 to be responsible for good mechanical reinforcement.…”
Section: Introductionmentioning
confidence: 99%
“…Note that the structure of the polymer chains could have a pronounced effect on the performance of PNCs, by mainly controlling the dispersion state or the spatial distribution of NPs in the polymer matrix. [18][19][20][21][22] However, it is extremely difficult to produce well-dispersed states of immiscible inorganic NPs in a polymer matrix. At the same time, a good NP dispersion has been shown 23 to be responsible for good mechanical reinforcement.…”
Section: Introductionmentioning
confidence: 99%
“…In particular, when the goal is to fabricate a multicomponent system with synergistic functionalities among the constituents, the choice of the appropriate precursors and the methodology for the preparation of the final material represent a critical step 1 . This challenging task is presently accomplished thanks to coupling organic polymers with selectively chosen inorganic nanosized fillers, and to engineering hybrid nanomaterials or nanostructured composite systems 2 . The use as a filler of basic inorganic entities, such as nanoclays, silicates, oxides and carbon nanostructures, has opened the way for advanced applications in energy generation and storage, electronics, sensors, catalysis and medical devices 3 .…”
Section: Introductionmentioning
confidence: 99%
“…Furthermore, the multi-chain slip-spring formulation and its incorporation with hPF-MD allow applications of the present model to problems specifically where the chemical details and intermolecular interactions have significant influences such as kinetics in complex morphologies of multicomponent polymeric materials [91][92][93] and dispersions of nanoparticles into polymer matrices. [94,95] Forschungsgemeinschaft via the SFB-TRR 146 "Multiscale Simulation…”
Section: Orientational Dynamicsmentioning
confidence: 99%