Papers › High temperature equilibrium of 3D and 2D chalcogenide perovskites
High temperature equilibrium of 3D and 2D chalcogenide perovskites
Prakriti Kayastha, Devendra Tiwari, Adam Holland, Oliver S. Hutter, Ken Durose, Lucy D. Whalley, Giulia Longo
The archive published only this paper's code-link row. Authors, date and abstract are from arXiv's metadata (CC0), read from the Kaggle arXiv metadata snapshot of 2026-09-12 where its title matched the archive's; the title is the archive's.
Chalcogenide perovskites have been recently under the researchers spotlight as novel absorber materials for photovoltaic applications. BaZrS₃, the most investigated compound of this family, shows a high absorption coefficient, a bandgap of around 1.8 eV, and excellent environmental and thermal stability. In addition to the 3D perovskite BaZrS₃, the Ba-Zr-S compositional space contains various 2-D Ruddlesden-Popper phases Baₓ₊₁ZrₓS₃ₓ₊₁ (with x= 1, 2, 3) which have recently been reported. In this work it will be shown that at high temperature the Gibbs free energies of 3D and 2D perovskites are very close, suggesting that 2D phases can be easily formed at high temperatures. The analysis of the product of the BaS and ZrS₂ solid-state reaction, in different stoichiometric conditions, present a mixture of BaZrS₃ and Ba₄Zr₃S₁₀. To carefully resolve the composition, XRD, SEM and EDS analysis were complemented with Raman spectroscopy. For this purpose, the phonon modes, and the consequent Raman spectra, were calculated for the 3D and 2D chalcogenide perovskites, as well as for the binary precursors. This thorough characterization demonstrates the thermodynamic limitations and experimental difficulties in forming phase-pure chalcogenide perovskites through solid state synthesis, and the importance of using multiple techniques to soundly resolve the composition of these chalcogenide materials.
Code
Repository list and official/mentioned flags are the archive's, frozen 2025-07-28. Reachability, where shown, is from one Syntology probe window (2026-09-16 to 2026-09-18); repositories not probed show nothing. GitHub stars are not tracked.
Code Syntology ran Syntology
Not run by Syntology. Nothing on this page verifies that the listed code works.
Results from the paper archive 2025-07-28
No leaderboard rows for this paper in the archive.
Report a problem or propose a change · a person checks every report against the paper or source before anything changes; decisions are listed on /corrections