Decoding structural transitions from CdSe nanoclusters to quantum dots through dynamic nuclear polarization NMR.
basic_science · Level V
Where this comes from
- Record sourced from PubMed, PMID 41006241.
- Also identified by DOI 10.1038/s41467-025-62724-8 and PMC identifier 12475265.
- Licence recorded as CC BY-NC-ND.
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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 <sup>113</sup>Cd 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. This study underscores the unique capability of <sup>113</sup>Cd NMR to probe local Cd environments, offering a framework for monitoring structural transitions and improving size control during quantum dot growth.