Work

Decoding structural transitions from CdSe nanoclusters to quantum dots through dynamic nuclear polarization NMR

Year: 2025

Type: article

Abstract: Achieving control over quantum dot (QD) size is essential for their performance but remains difficult due to the limited atomic-level understanding of QD growth. Using signal-enhanced solid-state NMR (SSNMR), we examined structural features of intermediate CdSe clusters and mature QDs. The intermediates, with four distinct site types, pose a challenge in determining ligand distribution across their surface. By integrating quantum computation with experimental data, we assigned NMR peaks to specific Cd binding environments and found that ligand distribution is optimized through inter-ligand hydrogen bonds, which stabilize the ligand layer and counteract the steric constraints of ligand packing on planar facet. 113Cd NMR provided insights into local Cd environments, offering a framework for monitoring structural transitions and improving size control during QD growth.

Source: Nature Communications

DOI: 10.1038/s41467-025-62724-8