文摘
Using computational modeling, we suggest and demonstrate a novel class of building blocks for nanoparticle self-assembly, that is, shape-shifting patchy nanoparticles. These nanoparticles are designed by harnessing dynamic covalent bonds between nanoparticles and patches decorated on them. The breaking and reforming of these bonds in response to their environment allow the patches to undergo a structural rearrangement that shifts the location or number of patches. Our simulations for the assembled superstructures and kinetic pathway of two types of these building blocks demonstrate that shape-shifting patchy nanoparticles delicately meet two emerging design concepts of next generation materials: rational self-assembly and responsive matter. In this context, these nanoparticles may enable new generations of materials with reconfigurable property as well as controllable topologies in a dynamical manner.
Keywords:
shape-shifting building blocks; kinetics; reversible chemistry; reconfigurable materials; computer simulation