Self-assembly of curved aromatic molecules in nanoparticles

Bowal, Kimberly; Martin, Jacob W.; Kraft, Markus

doi:10.1016/j.carbon.2021.05.013

Cited by 4 publications

(1 citation statement)

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“…Helix structures possess a unique fascinating spiral geometry, exhibiting excellent structural stability, artistic beauty, and multiple advanced functionalities. − The helical configuration endows biomolecules, such as peptides, proteins, DNA, and polysaccharides in nature, with direct relation to the biological functions. − Inspired by this unique “structure–function” relationship, researchers have been searching for novel one-dimensional linear molecules that are capable of forming helices through noncovalent interactions to mimic or further explore their unique structures and properties. − Self-assembly is one of the promising fabrication strategies providing a practical way to design and fabricate a new helix from one-dimensional molecules. The self-assembly originates from the energy optimization realized through noncovalent interactions of individual structural units to reach the lowest-energy state. − …”

Section: Introductionmentioning

confidence: 99%

Helical Self-Assembly of Poly(para-phenylene) Chains Induced by Fullerenes

Zhao

Tian

et al. 2022

J. Phys. Chem. C

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Molecular dynamics simulations show that two poly(para-phenylene) (PPP) chains can self-assemble helically to form a regular double-helix structure under the inducement of a fullerene molecule. The cross section of the PPP double helix shows a dumbbell-like shape consisting of two highly strained bulbs on two edges. The contribution of system energy and each energy component to the helical self-assembly is discussed, and the conditions and mechanism are explained. The fullerene diameter, PPP length, temperature, and relative position all have great influence on the helical self-assembly process. The thermal stability of the formed double helix is further tested. Multiple fullerenes, arranged in a string, can easily cause the helical self-assembly of two PPP chains. Three to six PPP chains have a certain probability of forming regular multiple helices under the inducement of fullerenes with an appreciate diameter. This work provides a new idea and theoretical basis for the controllable fabrication of regular helical polymers and related functional nanodevices.

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