DataVXChemistry of MaterialsPaper
journal article·2026-03-24Open access

Unveiling Zn Incorporation in CuInS 2 Quantum Dots: X-ray and Optical Analysis of Doping Effects, Structural Modifications, and Surface Passivation

Andrés Burgos-Caminal, Brener R. C. Vale, André F. V. Fonseca, Juan F. Hidalgo, Elisa P. P. Collet, Lázaro García, Víctor Vega-Mayoral, Saül Garcia-Orrit, Iciar Arnay, Juan Cabanillas-González, Laura Simonelli, Ana Flávia Nogueira, Marco Antônio Schiavon, Thomas J. Penfold, Lazaro A. Padilha, Wojciech Gawelda

Chemistry of Materials· Volume 38· Issue 6
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Abstract

High Resolution Image Download MS PowerPoint Slide CuInS 2 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 CuInS 2 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 CuInS 2 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 CuInS 2 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.
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Research context

NanomaterialsElectronic materials

OpenAlex topics: Quantum Dots Synthesis And Properties · Chalcogenide Semiconductor Thin Films · Semiconductor Quantum Structures and Devices

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Madrid Institute for Advanced Studies IMDEA Nanoscience, Ciudad Universitaria de Cantoblanco, Calle Faraday 9, 28049 Madrid, Spain

Departamento de Química, Universidad Autónoma de Madrid, Ciudad Universitaria de Cantoblanco, Calle Francisco Tomás y Valiente 7, 28049 Madrid, Spain

Departamento de Química Analítica, Química Física e Ingeniería Química, Universidad de Alcalá, Alcalá de Henares, 28805 Madrid, Spain

Departamento de Química Física Aplicada, Universidad Autónoma de Madrid, Ciudad Universitaria de Cantoblanco, Calle Francisco Tomás y Valiente 7, 28049 Madrid, Spain

Instituto de Física Gleb Wataghin

Universidade Estadual de Campinas─UNICAMP

Grupo de Pesquisa Química de Materiais, Departamento de Ciências Naturais

Universidade Federal de São João Del-Rei

Laboratório de Nanotecnologia e Energia Solar, Chemistry Institute

University of Campinas─UNICAMP

CELLS-ALBA Synchrotron Light Source, Cerdanyola del Vallès, 08290 Barcelona, Spain

Chemistry, School of Natural and Environmental Sciences

Newcastle University

Faculty of Physics, Adam Mickiewicz University, ul. Uniwersytetu Poznańskiego 2, 61-614 Poznań, Poland

Funding

Ministerio de Universidades · Funda??o de Amparo ? Pesquisa do Estado de Minas Gerais · Ministerio de Ciencia, Innovaci?n y Universidades · HORIZON EUROPE Marie Sklodowska-Curie Actions · Conselho Nacional de Desenvolvimento Cient?fico e Tecnol?gico · Ag?ncia Nacional do Petr?leo, G?s Natural e Biocombust?veis · Universidad Aut?noma de Madrid · Funda??o de Amparo ? Pesquisa do Estado de S?o Paulo · Shell · ?Severo Ochoa? Programme for Centres of Excellence in R&D · Regional Government of Madrid

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