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Abstract
Efforts to create block-polymer-based templates with ultrasmall domain sizes has stimulated integrated experimental and theoretical work in an effort to design and prepare self-assembled systems that can achieve unprecedented domain sizes. We recently reported the utilization of molecular dynamics simulations with transferable force fields to identify amphiphilic oligomers capable of self-assembling into ordered layered and cylindrical morphologies with sub-3 nm domain sizes. Motivated by these predictions, we prepared a sugar-based amphiphile with a hydrocarbon tail that shows thermotropic self-assembly to give a lamellar mesophase with a 3.5 nm pitch and sub-2 nm nanodomains above the melting temperature and below the liquid-crystalline clearing temperature. Complementary atomistic simulations of the molecular assemblies gave morphologies and spacings that were in near-perfect agreement with the experimental results. The effective combination of molecular design, simulation, synthesis, and structural characterization demonstrates the power of this integrated approach for next-generation templating technologies.
Original language | English (US) |
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Pages (from-to) | 4458-4462 |
Number of pages | 5 |
Journal | Nano letters |
Volume | 19 |
Issue number | 7 |
DOIs | |
State | Published - Jul 10 2019 |
Bibliographical note
Publisher Copyright:© 2019 American Chemical Society.
Keywords
- Thermotropic
- glycolipid
- lamellar morphology
- liquid crystal
How much support was provided by MRSEC?
- Primary
Reporting period for MRSEC
- Period 6
PubMed: MeSH publication types
- Journal Article
- Research Support, Non-U.S. Gov't
- Research Support, U.S. Gov't, Non-P.H.S.
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MRSEC IRG-3: Hierarchical Multifunctional Macromolecular Materials
Reineke, T. M., Bates, F. S., Dorfman, K., Dutcher, C. S., Hillmyer, M. A., Lodge, T., Morse, D. C., Siepmann, I., Barreda, L. & Ganewatta, M. S.
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Project: Research project
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