Molecular Dynamics Simulations on the Chain Fold During the Isothermal Orientation of n-Alkanes on Graphene

The orientation of hydrocarbon chains plays a key role in the applications of organic materials. And chain folding in the process of molecular orientation is also of great significance for the design of organic molecular thin films. The effect of chain length and simulation temperature on the isothermal orientation of n-alkanes on graphene surface is studied by molecular dynamics simulation in this paper. And the chain folding is also described. The n-alkanes can form perpendicular ordered structure, parallel ordered structure or perpendicular orientation at relative low temperature and parallel orientation at relative high temperature on graphene surface. The chain fold happens when long n-alkanes form perpendicular ordered structure on graphene surface. And the simulation results show the interactions of n-alkane−graphene and n-alkane−n-alkane affect chain fold.

Facile topological transformation of ABA triblock copolymers into multisite, single-chain-folding and branched multiblock copolymers via sequential click coupling and anthracene chemistry

Telechelic PtBA-b-PSt-b-PtBA copolymers were designed to achieve on-demand topological transformation into multisite, single-chain-folding and branched multiblock copolymers via click/click-like reactions.

Regulation of tectonic sequence in chain-folding-directed monodisperse isomeric oligomers precisely tailored by Ugi–hydrosilylation orthogonal cycles

Monodisperse discrete oligomers with tailored sequence of linkages within the backbones, which has been defined as tectonic sequence, were precisely constructed through Ugi four-component reactions (Ugi-4CRs) coupled to hydrosilylations orthogonal...