Toggle Main Menu Toggle Search

Open Access padlockePrints

Unveiling Zn Incorporation in CuInS2 Quantum Dots: X-ray and Optical Analysis of Doping Effects, Structural Modifications, and Surface Passivation

Lookup NU author(s): Professor Thomas PenfoldORCiD

Downloads


Licence

This work is licensed under a Creative Commons Attribution 4.0 International License (CC BY 4.0).


Abstract

CuInS2 quantum dots (QDs) have gained significant attention owing to their remarkable broadband emission, making them desirable for various optoelectronic applications requiring efficient luminescent nanomaterials. However, maximizing radiative recombination in CuInS2 QDs necessitates minimizing intragap trap states. A common approach involves the introduction of Zn during the synthesis, which typically promotes the formation of a ZnS shell that passivates the QD surface. Despite its importance, the characterization and quantification of Zn incorporation using conventional techniques, such as optical spectroscopy or electron microscopy, remains challenging. In this study, we utilized X-ray absorption spectroscopy, in both X-ray absorption near-edge structure and extended X-ray absorption fine structure spectral ranges, to investigate Zn incorporation into CuInS2 QDs, probing at the Zn, S, and Cu K-edges. This approach allowed us to detect the formation of a ZnS surface shell, tentatively quantifying its thickness, and to distinguish between Zn as a substituent at the shell or as an interstitial defect. Additionally, we explored the dynamical properties of CuInS2 QDs using time-resolved optical spectroscopies, particularly in the presence of electron and hole acceptors (benzoquinone and phenothiazine), observing that hole transfer is highly sensitive to shell thickness. These results provide deeper insights into the Zn-induced shell.


Publication metadata

Author(s): Burgos-Caminal A, Vale BRC, Fonseca AFV, Hidalgo JF, Collet EPP, García L, Vega-Mayoral V, Garcia-Orrit S, Arnay I, Cabanillas-González J, Simonelli L, Nogueira AF, Schiavon MA, Penfold TJ, Padilha LA, Gawelda W

Publication type: Article

Publication status: Published

Journal: Chemistry of Materials

Year: 2026

Pages: epub ahead of print

Online publication date: 09/03/2026

Acceptance date: 25/02/2026

Date deposited: 18/03/2026

ISSN (print): 0897-4756

ISSN (electronic): 1520-5002

Publisher: American Chemical Society

URL: https://doi.org/10.1021/acs.chemmater.5c01878

DOI: 10.1021/acs.chemmater.5c01878

Data Access Statement: The data that support the findings in this study are openly available at the IMDEA Nanoscience repository ref 62.


Altmetrics

Altmetrics provided by Altmetric


Share