Proceedings of MATSUS Spring 2025 Conference (MATSUSSpring25)
DOI: https://doi.org/10.29363/nanoge.matsusspring.2025.228
Publication date: 16th December 2024
Chalcogenide perovskites are a new emerging group of Pb-free perovskites featuring high environmental stability, direct band gap with extraordinary absorption coefficient, and good carrier transport properties, that can be suitably tailored for photovoltaic applications. Their constituent elements can vary, with the A and B cations having oxidation +2 and +4, respectively, while the anion is a chalcogen, such as S, Se, and Te, with an oxidation state -2. Currently, the most researched chalcogenide perovskite is BaZrS3, due to its natural abundance of elements and its bandgap, which is favorable for tandem solar cells.
A prerequisite to adapt BaZrS3 in device architectures is to understand how the complex surface chemistry affects optoelectronic properties of BaZrS3 thin films. Our research focuses on the study of the BaZrS3 surface/interfaces, developing methodologies for investigating the interfaces and the band alignment for devices. In our work, the measurements of the surfaces for varied films are achieved by photoelectron spectroscopy (XPS) performed both at in-house laboratories and at synchrotrons, exploiting the variable X-ray energy and the high flux.
In this presentation, I will report the advances of the BaZrS3 as studied in our research on BaZrS3 thin films. First, the bulk quality of our samples will be highlighted correlating the bulk properties to the functionality in terms of XRD, XAS and PL [1] . The surface chemistry and electronic structure, specifically orbitally-resolved valence band characteristics in relation to charge-carrier type, will be described as revealed by XPS measurements, differentiating the perovskite peaks from the secondary phases and performing a depth profile analysis of the top few nanometers from the film surface [2]. Our recent highlight includes in situ high-temperature post-annealing in ultra-high vacuum, allowing us to access the perovskite peaks by soft X-ray XPS from the purest film surface achieved so far. Our work is fundamental for unraveling the interfacial properties and the band alignment that directly impact charge transport. The findings will help identifying optimal design parameters for utilization of chalcogenide perovskites in optoelectronic devices, such as photodiodes and solar cells.
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