by David Payno, Luna Lázaro-Castrillón, Marin Rusu, Antonio Arranz, Reelika Kaupmees, Maarja Grossberg-Kuusk, Jacob Andrade-Arvizu, Maria Dolores Ynsa, José Gonzalo and Raquel Caballero
Abstract:
Antimony chalcogenides have emerged as promising absorber materials for next-generation thin-film photovoltaics due to their high absorption coefficient, low-toxicity elements, low synthesis temperatures, stability and compositional tunability. In this work, we demonstrate a simple and scalable one-step sulfo-selenization process to synthesize Sb2(S,Se)3 thin films directly from metallic Sb precursors. The [S]/([S]+[Se]) composition is controlled by varying the sulfur and selenium quantities during the thermal treatment, allowing systematic tuning of the absorber properties. Structural analysis by X-ray diffraction confirms the formation of orthorhombic Sb2(S,Se)3 solid solutions following Vegard’s law, with no secondary phases detected. Optical measurements show a bandgap tunability from 1.17 to 1.72 eV, and the full electronic band structure is characterized, revealing a trend in the energy levels consistent with a shift from a p-type to a weakly n-type character with the increase of sulfur content. The materials were integrated into both superstrate (FTO/TiO2/Sb2(S,Se)3/Au) and substrate (Mo/Sb2(S,Se)3/CdS/ZnO/ITO) photovoltaic architectures to evaluate device performance, revealing strong composition dependent effects, with selenium-rich compositions yielding the best photovoltaic performance. These findings demonstrate the potential of sulfo-selenization of metallic Sb as a simple route for the controlled synthesis of Sb2(S,Se)3 absorbers and provide insights into the interplay between composition, electronic structure, and device performance.
Reference:
David Payno, Luna Lázaro-Castrillón, Marin Rusu, Antonio Arranz, Reelika Kaupmees, Maarja Grossberg-Kuusk, Jacob Andrade-Arvizu, Maria Dolores Ynsa, José Gonzalo and Raquel Caballero, “Controlled S/Se composition in Sb2(S,Se)3 for thin-film photovoltaics via sulfo-selenization of metallic Sb”, Materials Today Sustainability, vol. 36, pp. 101448.
Bibtex Entry:
@article{payno_controlled_2026,
title = {Controlled {S}/{Se} composition in {Sb2}({S},{Se})3 for thin-film photovoltaics via sulfo-selenization of metallic {Sb}},
volume = {36},
issn = {2589-2347},
url = {https://www.sciencedirect.com/science/article/pii/S2589234726001491},
doi = {10.1016/j.mtsust.2026.101448},
abstract = {Antimony chalcogenides have emerged as promising absorber materials for next-generation thin-film photovoltaics due to their high absorption coefficient, low-toxicity elements, low synthesis temperatures, stability and compositional tunability. In this work, we demonstrate a simple and scalable one-step sulfo-selenization process to synthesize Sb2(S,Se)3 thin films directly from metallic Sb precursors. The [S]/([S]+[Se]) composition is controlled by varying the sulfur and selenium quantities during the thermal treatment, allowing systematic tuning of the absorber properties. Structural analysis by X-ray diffraction confirms the formation of orthorhombic Sb2(S,Se)3 solid solutions following Vegard's law, with no secondary phases detected. Optical measurements show a bandgap tunability from 1.17 to 1.72 eV, and the full electronic band structure is characterized, revealing a trend in the energy levels consistent with a shift from a p-type to a weakly n-type character with the increase of sulfur content. The materials were integrated into both superstrate (FTO/TiO2/Sb2(S,Se)3/Au) and substrate (Mo/Sb2(S,Se)3/CdS/ZnO/ITO) photovoltaic architectures to evaluate device performance, revealing strong composition dependent effects, with selenium-rich compositions yielding the best photovoltaic performance. These findings demonstrate the potential of sulfo-selenization of metallic Sb as a simple route for the controlled synthesis of Sb2(S,Se)3 absorbers and provide insights into the interplay between composition, electronic structure, and device performance.},
urldate = {2026-10-02},
journal = {Materials Today Sustainability},
author = {Payno, David and Lázaro-Castrillón, Luna and Rusu, Marin and Arranz, Antonio and Kaupmees, Reelika and Grossberg-Kuusk, Maarja and Andrade-Arvizu, Jacob and Ynsa, Maria Dolores and Gonzalo, José and Caballero, Raquel},
month = dec,
year = {2026},
keywords = {Antimony chalcogenides, Bandgap tunability, Composition engineering, Low-toxicity elements, Sb(S,Se), Sulfo-selenization, Thin-film photovoltaics},
pages = {101448},
file = {ScienceDirect Full Text PDF:E:\Usuarios\Administrator\Zotero\storage\23RD44XG\Payno et al. - 2026 - Controlled SSe composition in Sb2(S,Se)3 for thin-film photovoltaics via sulfo-selenization of meta.pdf:application/pdf;ScienceDirect Snapshot:E:\Usuarios\Administrator\Zotero\storage\2YV243TL\S2589234726001491.html:text/html},
}