Publication date: 11th March 2026
Lead-based perovskites achieve high efficiencies but raise serious concerns due to toxicity, environmental risk, and regulatory barriers. This inspired alternate chemistries to develop Pb-free, stable alternative perovskites achieving commercially viable, environmentally sustainable, and regulation-compliant solar cells while maintaining acceptable performance. In today’s seminar, I will showcase two such emergent material class with potential for safer manufacturing, deployment, and end-of-life disposal. In particular, I will highlight how understanding structure-function links at the atomic-scale1 utilizing multimodal x-ray techniques holds the key to drive such materials towards PV applications.
First, we investigate the chalcogenide perovskite2 BaZrS3, which combines a direct band gap with strong light absorption and favorable transport properties. The challenge however, is adapting it to a device architecture, linked to it high formation temperature and susceptibility to surface oxidation. The talk will explore how design parameters influences optical band gap, semiconductor characteristics, transport phenomenon relating to material formation and growth, local effects in the bulk, and critical surface effects which are relevant for optimizing PV functionality (Fig.1(a)).3-5 Based on these inputs, BaZrS3 films with minimal surface contamination were fabricated and its chemistry, band alignment, and ambient stability are assessed for initial solar cell integration.
Second, we explore ferroelectric perovskite oxides, where large intrinsic polarization offers a pathway to above-band-gap photovoltages.6 Here, the main challenge is the typically large band gaps (e.g., 3.2 eV for BaTiO3), where gap reduction by chemical doping leads to severe polarization loss. Controlled Mn-Nb co-doping in BaTiO3 can achieve this balance,7 enhancing sunlight absorption via Mn3+ (dn) doping, while largely preserving initial polarization of u-ndoped BaTiO3 via Nb5+ (d0) doping (Fig. 1(b)). Element-specific disorder control is shown to enable this balance,8-9 providing a general strategy for designing low-band-gap ferroelectric absorbers for photovoltaic applications.
The authors gratefully acknowledge STandUP for Energy, the Swedish Research Council (2018-06465, 2018-04330, 2021-05932, 2022-06076, and 2023-05072), the Swedish Energy Agency (P50626-1), and FORMAS (2023-01607). This work was partially supported by the Wallenberg Initiative Materials Science for Sustainability (WISE) funded by the Knut and Alice Wallenberg Foundation.
