IDEAS home Printed from https://ideas.repec.org/a/nat/natcom/v16y2025i1d10.1038_s41467-025-62724-8.html
   My bibliography  Save this article

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

Author

Listed:
  • Yunyao Xu

    (Columbia University)

  • Lichirui Zhang

    (Columbia University)

  • Ivan V. Sergeyev

    (Columbia University)

  • Matthew W. Greenberg

    (Columbia University)

  • Natalie Saenz

    (Columbia University)

  • Alex Beecher

    (Columbia University)

  • Daniel Cooke

    (Columbia University)

  • Richard A. Friesner

    (Columbia University)

  • Jonathan S. Owen

    (Columbia University)

  • Ann E. McDermott

    (Columbia University)

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. This study underscores the unique capability of 113Cd NMR to probe local Cd environments, offering a framework for monitoring structural transitions and improving size control during quantum dot growth.

Suggested Citation

  • Yunyao Xu & Lichirui Zhang & Ivan V. Sergeyev & Matthew W. Greenberg & Natalie Saenz & Alex Beecher & Daniel Cooke & Richard A. Friesner & Jonathan S. Owen & Ann E. McDermott, 2025. "Decoding structural transitions from CdSe nanoclusters to quantum dots through dynamic nuclear polarization NMR," Nature Communications, Nature, vol. 16(1), pages 1-11, December.
    • Handle: RePEc:nat:natcom:v:16:y:2025:i:1:d:10.1038_s41467-025-62724-8
    DOI: 10.1038/s41467-025-62724-8
    as

    Download full text from publisher

    File URL: https://www.nature.com/articles/s41467-025-62724-8
    File Function: Abstract
    Download Restriction: no
    File URL: https://libkey.io/10.1038/s41467-025-62724-8?utm_source=ideas
    LibKey link: if access is restricted and if your library uses this service, LibKey will redirect you to where you can use your library subscription to access this item
    ---><---

    More about this item

    Statistics

    Access and download statistics

    Corrections

    All material on this site has been provided by the respective publishers and authors. You can help correct errors and omissions. When requesting a correction, please mention this item's handle: RePEc:nat:natcom:v:16:y:2025:i:1:d:10.1038_s41467-025-62724-8. See general information about how to correct material in RePEc.

    If you have authored this item and are not yet registered with RePEc, we encourage you to do it here. This allows to link your profile to this item. It also allows you to accept potential citations to this item that we are uncertain about.

    We have no bibliographic references for this item. You can help adding them by using this form .

    If you know of missing items citing this one, you can help us creating those links by adding the relevant references in the same way as above, for each refering item. If you are a registered author of this item, you may also want to check the "citations" tab in your RePEc Author Service profile, as there may be some citations waiting for confirmation.

    For technical questions regarding this item, or to correct its authors, title, abstract, bibliographic or download information, contact: Sonal Shukla or Springer Nature Abstracting and Indexing (email available below). General contact details of provider: http://www.nature.com .

    Please note that corrections may take a couple of weeks to filter through the various RePEc services.

    IDEAS is a RePEc service. RePEc uses bibliographic data supplied by the respective publishers.