A versatile Topology Optimization Strategy for Devising Low-Dimensional Architectures with Boosted Photocatalytic Activity

Constructing low-dimensional heterojunctions via hybridizing 0D, 1D, and 2D building blocks is an effective means to devise higher-order architectures with excellent photocatalytic reaction activities. Developing a versatile topology optimization strategy paves the way for guiding the rational structural design of a wide range of heterostructures. Herein, taking the ZnO-CdS hybrids with mixed topology structures (including 0D-1D, 0D-0D, and 1D-1D composites) as a model system, the work unveils a ubiquitous, yet unrecognized, topology dependence of photocatalytic performances and the 0D-1D topology combination coupled with an annealing treatment gives rise to an optimal photocatalytic redox activity, far exceeding those of 0D-0D and 1D-1D counterparts. The 0D-1D topology integrates the structural merits of both constituent units, where the 1D unit acts as a rigid matrix to allow the uniform dispersity of 0D units for exposing abundant active sites, and a mobile 0D unit contributes to the interfacial reconstruction for forming charge-migration-expediated heterointerfaces via thermal-induced grain rotations. Such thermal-annealing-coupled topology optimization methodology shows applicability for a large spectrum of low-dimensional heterojunctions, offering a prototype for the precise structural design of low-dimensional heterojunctions with enhanced catalytic performance.