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

ABSTRACT: Achieving control over quantum dot size is essential for their performance, but remains challenging due to the limited atomic-level understanding of quantum dot growth. In this study, we employ signal-enhancing Dynamic Nuclear Polarization solid-state NMR to investigate the structural features of intermediate CdSe clusters and mature quantum dots to gain valuable insights. By integrating quantum mechanical calculations with experimental data, we leverage ¹¹³Cd chemical shift to elucidate local Cd environments at various positions, decoding the complex ligand distribution on cluster surfaces. Our findings reveal that ligand distribution is stabilizing through inter-ligand hydrogen bonds, while minimizing steric clashes during ligand packing on space-constrained planar facets. Thi

SUBMITTER: Xu Y 

PROVIDER: S-EPMC12475265 | biostudies-literature | 2025 Sep

REPOSITORIES: biostudies-literature