Rational Design, Tailored Superstructures, and Functionalities of Self-assembling Systems with Janus Particles : A Perspective of Theory and Simulation Studies

Due to the asymmetry of surface properties and shape features, Janus particles exhibit unique mechanical, optical, electrical, magnetic and amphiphilic properties, thereby demonstrating broad prospects for applications with respect to the construction of complex-assembled structures and the design of novel functional materials. In this review, recent progress on the rational design, tailored superstructures, and functionalities of self-assembling systems with Janus particles is systematically summarized, focusing on the perspective of simulation and theoretical analyses. From the aspects of the precise construction of the assembled structures and corresponding dynamic responses, entropy-driven regulation of the interfacial structures, nonequilibrium assembling dynamics, and the simulation and prediction of functionalities of the building blocks of Janus particles, the thermodynamic and kinetic mechanisms of the hierarchical assembled structures of Janus particles are elucidated, and the functionalities and potential applications of the polymer-matrix composites are introduced. Further, it is pointed out that the rational design of the asymmetric properties and the delicate control of the thermodynamic equilibrium of composites of Janus particles are the key to developing correspondingly novel functional materials. The future development and challenges of Janus particles are described finally.