Dataset for "Unveiling Zn incorporation in CuInS₂ quantum dots: X-ray and optical analysis of doping effects, structural modifications and surface passivation" by 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 and Wojciech Gawelda. Published at Chemistry of Materials 2026, 38, 6, 2601–2612 All data can be accessed with any program that reads csv and txt. TAS raw data need processing, but processed data is also given. License: CC-BY The data has been obtained with the following acknowledgements: The steady-state XAS experiments were performed at the CLÆSS beamline at ALBA Synchrotron within the Proposal 2021095311. We would like to greatly acknowledge the help and support for CLÆSS beamline staff in preparation and execution of XAS experiments, which contributed to the results presented here. The authors would also like to thank Dr. Reinhold Wannemacher and Luis Colmenar for their help with TRPL and PLQY measurements, respectively, at IMDEA Nanoscience. AB is grateful to the Spanish “Ministerio de Universidades” and the “Plan de Recuperación, Transformación y Resiliencia”, as well as the UAM, for his “Margarita Salas” grant (ref. CA1/RSUE/2021-00809). In addition, he receives funding from the European Union’s Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie agreement No. 101034431 and from the “Severo Ochoa” Programme for Centres of Excellence in R&D (CEX2020-001039S / AEI / 10.13039/501100011033. WG acknowledges funding from Spanish Ministry of Universities through “Ayudas Beatriz Galindo” (BEAGAL18/00092), Regional Government of Madrid and Universidad Autónoma de Madrid through “Proyectos de I+D para Investigadores del Programa Beatriz Galindo” grant (Ref. SI2/PBG/2020-00003) and from Spanish Ministry of Science, Innovation and Universities through “Proyectos de I+D+i 2019” grant (Ref. PID2019-108678GB-I00) and “Proyectos de I+D+i 2022” grant (Ref. PID2022-140257NB-I00). BRCV and LAP thank São Paulo Research Foundation, FAPESP, under grants 2018/15574-6 and 2022/06470-8. BRCV also thanks FAPESP for the postdoctoral scholarship under grants 2020/16077-6 and 2024/01722-4. AFVF thanks FAPESP under the grant 2023/10395-4. AFN acknowledges the support from the FAPESP (grant no. 2017/11986-5) and Shell and the strategic importance of the support given by ANP (Brazil’s National Oil, Natural Gas, and Biofuels Agency). MAS acknowledges the support from the CNPq and FAPEMIG (grant no. APQ-02598-23). JC-G acknowledges the MICINN-FEDER (No. PID2021-128313OB-I00 and PID2024-162801OB-I00), support from the Regional Government of Madrid (TEC-2024/TEC-459 SYNMOLMAT-CM), a Research Consolidation Grant (No. CNS2022-36191) and project PDC202-314587-1I00 from the Spanish Ministry of Science and Innovation. VVM acknowledges grants TED2021-131906A-100 and RYC2022-035200-I funded by Spanish Ministry of Science, Innovation and Universities (10.13039/501100011033) and support from the Regional Government of Madrid (2019-T2/IND-12737 and 2024-T1/TEC-31349). SGO is grateful to the Spanish Ministry of Science and Innovation for a Ph.D. grant (FPI, PRE2019-09345). This work was also partially funded by the regional government of Madrid (Spain) through the Tecnologias 2024 program, project MATRIX-CM (TEC-2024/TEC-85).