Ab initio Investigation of quasi-one-dimensional ternary chalcogenides Sr2ZnX3 (X = S, Se, Te) for efficient photovoltaic and thermoelectric applications

Key Points

• Observational analysis reveals quasi-one-dimensional chalcogenides could enhance efficiency in photovoltaic applications.
• Key evidence indicates that the materials Sr2ZnS3, Sr2ZnSe3, and Sr2ZnTe3 exhibit favorable bandgap properties.
• Ab initio theoretical modeling provides insights into the material design and properties of these chalcogenides.
• These findings suggest that further exploration of these materials could lead to advancements in sustainable energy technologies.