Chalcogenide Perovskite Materials for Photovoltaic Applications

Chalcogenide perovskites are emerging semiconductors in which a metal–chalcogen framework replaces the halide anion of conventional perovskites. Their ABX₃ structure, where A is a divalent cation (for example Ca, Sr or Ba), B is a transition metal (such as Zr or Hf) and X is a chalcogen (S, Se or Te), combines strong covalent bonding with the robust stability required for photovoltaic absorber layers. Unlike lead-based halide perovskites, these sulphide and selenide analogues exhibit increased thermal and moisture resistance, reduced toxicity and tunable band gaps in the range 1.4–1.9 eV, ideal for single-junction and tandem solar cells. Recent computational studies have predicted high optical absorption coefficients (>10⁵ cm⁻¹) and low effective masses for photo-generated carriers, indicating favourable light-matter interaction and potential for high power conversion efficiencies. Synthesis routes have evolved from high-temperature solid-state methods to moderate-temperature molecular precursor and solution-processing techniques, enabling thin-film integration on conductive substrates. Beyond photovoltaic applications, these materials show multifunctional properties—such as piezoelectricity and magnetic ordering—opening avenues for energy-harvesting devices that couple mechanical, thermal and spintronic phenomena with solar energy conversion.

Research from Nature Portfolio

Recent studies have shown that lead-free chalcogenide perovskites can exhibit substantial piezoelectric response despite their centrosymmetric average structure. First-principles calculations indicate that a loosely packed BaZrS₃ unit cell allows large ionic displacements under mechanical stress, reducing symmetry and generating a pronounced dipole moment. Piezoresponse force microscopy on BaZrS₃ films confirmed a measurable voltage output under deformation. Composite films incorporating BaZrS₃ particles in a polymer matrix have been demonstrated to harvest biomechanical energy, suggesting a dual role for these materials in both mechanical energy harvesting and photovoltaic energy conversion.

Chalcogenide Perovskite Materials for Photovoltaic Applications publication trend

The graph below shows the total number of articles in chalcogenide perovskite materials for photovoltaic applications across all publications each year (not limited to Nature Index journals).

Technical terms

Chalcogenide perovskite: An ABX₃ compound in which X is a chalcogen (S, Se or Te), combining a perovskite framework with covalent metal–chalcogen bonding.

Band gap: The energy difference between valence and conduction bands in a semiconductor, determining the threshold for photon absorption.

Piezoelectricity: The property of certain crystals to generate an electric charge under applied mechanical stress.

Antiferromagnetism: A magnetic ordering in which adjacent spins align oppositely, resulting in zero net magnetisation.

Tolerance factor: A geometrical parameter predicting perovskite structural stability based on the ionic radii of constituent ions.

Solution processing: A fabrication approach using liquid precursors to deposit thin films at moderate temperatures.

References

1. Enhancing the inherent stability of perovskite solar cells through chalcogenide-halide combinations. Energy & Environmental Science (2024).
2. Piezoelectricity in chalcogenide perovskites. Nature Communications (2024).
3. Synthesis of BaZrS3 and BaHfS3 Chalcogenide Perovskite Films Using Single‐Phase Molecular Precursors at Moderate Temperatures. Angewandte Chemie International Edition (2023).
4. Chalcogenide Perovskite EuHfS 3 with Low Band Gap and Antiferromagnetic Properties for Photovoltaics. Energy Material Advances (2024).
5. Synthesis of BaZrS3 Perovskite Thin Films at a Moderate Temperature on Conductive Substrates. ACS Applied Energy Materials (2022).
6. Chalcogenide perovskites for photovoltaics: current status and prospects. Journal of Physics Energy (2021).