Study of optoelectronic, mechanical, photovoltaic, thermoelectric, thermodynamic, and photocatalytic properties of perovskite Ca3AsCl3: a DFT study

Puntos clave

• Enhanced optoelectronic properties may benefit future energy technologies and applications.
• The study shows significant changes in thermoelectric efficiency and photocatalytic capability.
• Density functional theory analysis was used to assess the material's performance in various applications.
• Further research is needed to explore practical adaptations and long-term usability in real-world settings.