Oriented-attachment dimensionality build-up via van der Waals interaction

Abstract

In this study, molecular static calculation is carried out to evaluate the van der Waals interaction (vdW) associated with different oriented attachment (OA) growth systems involving 1D nanorods (NRs), 2D nanoplates (NPts) and 3D nanostructures (NSts) for the first time. Our results show that the vdW is, to a large extent, determined by the attaching area at all OA growth stages of nanocrystals. The vdW increases significantly as the OA growth varies from 1D NR–NP, end-to-end NR–NR assemblies to 2D side-by-side NR–NR/3D NPt–NPt assemblies. Our study reveals the fundamental details in vdW, one of the governing inter-particle interactions involved in OA growth of NCs, and facilitates the analytical understanding of the OA growth thermodynamics.