Probing three-dimensional structures of complex colloidal quantum dots at the single-atomic level

[2608.14962] Probing three-dimensional structures of complex colloidal quantum dots at the single-atomic level Skip to main content Search Submit Donate Log in Search arXiv Press Enter to search · Advanced search Condensed Matter > Materials Science arXiv:2608.14962 (cond-mat) [Submitted on 15 Aug 2026] Title: Probing three-dimensional structures of complex colloidal quantum dots at the single-atomic level Authors: Qikai Wu , Meng Pei , Jiancheng Zhang , Wei Xu , Tianding Xu , Colin Ophus , Zaiping Zeng , Botao Ji , Yao Yang View a PDF of the paper titled Probing three-dimensional structures of complex colloidal quantum dots at the single-atomic level, by Qikai Wu and 8 other authors View PDF Abstract: Colloidal quantum dots (QDs) are promising optoelectronic materials due to their size-tunable properties, yet their three-dimensional (3D) quantum confinement makes electronic states highly sensitive to structural and chemical heterogeneity, which critically impacts their optoelectronic performance. Accurately resolving the 3D atomic structure with sub-angstrom precision is thus essential for rational design. Here, we applied atomic electron tomography (AET) to determine, for the first time, the 3D atomic structure of complex core/shell QDs, resolving over 14,000 atoms per particle. Our reconstructions reveal surface morphology, eccentric cores, and nearly atomically abrupt heterovalent interfaces and identify anisotropic shell growth directed by twin boundaries. Utilizing an AET-derived atomic structure, we performed large-scale quantum mechanical calculations to uncover an orientation-dependent strain accommodation mechanism where the heterogeneous strain is compensated at interfaces and twin boundaries. Furthermore, our results reveal strain-induced localized states near the band edge, which contribute to the key features of the experimental ensemble absorption spectrum. This work sets a new benchmark for atomic-level characterization, establishing a powerful framework for the rational design of next-generation nanomaterials. Subjects: Materials Science (cond-mat.mtrl-sci) Cite as: arXiv:2608.14962 [cond-mat.mtrl-sci] (or arXiv:2608.14962v1 [cond-mat.mtrl-sci] for this version) https://doi.org/10.48550/arXiv.2608.14962 Focus to learn more arXiv-issued DOI via DataCite Submission history From: Yao Yang [ view email ] [v1] Sat, 15 Aug 2026 01:28:48 UTC (1,833 KB) Full-text links: Access Paper: View a PDF of the paper titled Probing three-dimensional structures of complex colloidal quantum dots at the single-atomic level, by Qikai Wu and 8 other authors View PDF view license Current browse context: cond-mat.mtrl-sci < prev | next > new | recent | 2026-08 Change to browse by: cond-mat References & Citations NASA ADS Google Scholar Semantic Scholar export BibTeX citation Loading... BibTeX formatted citation × loading... Data provided by: Bookmark Bibliographic Tools Bibliographic and Citation Tools Bibliographic Explorer Toggle Bibliographic Explorer ( What is the Explorer? ) Connected Papers Toggle Connected Papers ( What is Connected Papers? ) Litmaps Toggle Litmaps ( What is Litmaps? ) scite.ai Toggle scite Smart Citations ( What are Smart Citations? ) Code, Data, Media Code, Data and Media Associated with this Article alphaXiv Toggle alphaXiv ( What is alphaXiv? ) Links to Code Toggle CatalyzeX Code Finder for Papers ( What is CatalyzeX? ) DagsHub Toggle DagsHub ( What is DagsHub? ) GotitPub Toggle Gotit.pub ( What is GotitPub? ) Huggingface Toggle Hugging Face ( What is Huggingface? ) ScienceCast Toggle ScienceCast ( What is ScienceCast? ) Demos Demos Replicate Toggle Replicate ( What is Replicate? ) Spaces Toggle Hugging Face Spaces ( What is Spaces? ) Spaces Toggle TXYZ.AI ( What is TXYZ.AI? ) Related Papers Recommenders and Search Tools Link to Influence Flower Influence Flower ( What are Influence Flowers? ) Core recommender toggle CORE Recommender ( What is CORE? ) IArxiv recommender toggle IArxiv Recommender ( What is IArxiv? ) Author Venue Institution Topic About arXivLabs arXivLabs: experimental projects with community collaborators arXivLabs is a framework that allows collaborators to develop and share new arXiv features directly on our website. Both individuals and organizations that work with arXivLabs have embraced and accepted our values of openness, community, excellence, and user data privacy. arXiv is committed to these values and only works with partners that adhere to them. Have an idea for a project that will add value for arXiv's community? Learn more about arXivLabs . Which authors of this paper are endorsers? | Disable MathJax ( What is MathJax? ) We gratefully acknowledge support from our major funders , member institutions , , and all contributors. About · Help · Contact · Subscribe · Copyright · Privacy · Accessibility · Operational Status (opens in new tab) Major funding support from

Related documents

• Probing three-dimensional structures of complex colloidal quantum dots at the single-atomic level#610923
• Strain-driven spin mixing and dark-exciton recombination in a neutral Ni 2 + -doped quantum dot#262301
• Unraveling the Hidden Balance between Quantum Confinement and Structural Modifications in Near-Infrared Fluorescent Carbon Dots.#415362
• Exciton Coherence in CsPbBr3 Nanocrystals is Bounded by Phonon-Mediated Bright-Triplet Relaxation#984640
• Rabi-coupling-induced three-component quantum droplet in ultracold Bose gases#798883