Thermodynamics of Sulfur Vacancy Formation in the Chalcogenide Perovskite BaZrS3
Published in The Journal of Physical Chemistry C, 2025
Recommended citation: Z. Li, A. Walsh. Thermodynamics of Sulfur Vacancy Formation in the Chalcogenide Perovskite BaZrS3. J. Phys. Chem. C, 2025. https://pubs.acs.org/doi/full/10.1021/acs.jpcc.5c00828
A materials modelling methodology/workflow for sulfides growth was developed in this work.