COMPARATIVE STUDY OF THE STRUCTURAL, ELECTRONIC, OPTICAL, AND THERMOELECTRIC PROPERTIES OF A SERIES OF PEROVSKITE COMPOUNDS. (APPLICATION TO EMBEDDED SYSTEMS

Abstract

This thesis explores the potential of perovskite-based materials for renewable energy-powered embedded systems, with a focus on addressing the challenges posed by rising raw material costs and resource scarcity. By leveraging the unique properties of perovskites, including their structural flexibility, tunability, and promising optoelectronic characteristics, this research investigates alternative materials to conventional silicon, lithium, and III-V compounds used in energy-related components. The study employs theoretical and computational methods, including Density Functional Theory (DFT) and simulation tools such as SCAPS-1D, to analyze the structural, electronic, elastic, optical, and thermoelectric properties of various perovskite materials. The perovskites studied include ASiCl₃ (where A = Cs, Rb, Li), A₃SbAs (where A = Ba, Sr, Ca), A₃BiI₃ (where A = Ba, Sr, Ca), Rb₂Pt₁₋ₓPdₓBr₆ (a double perovskite alloy), Sr₂MnSbO₆, Ba₂InOsO₆, and CsTaX₃ (where X = S, Se). Key findings include the identification of perovskites with high photovoltaic efficiencies (up to 24%) and excellent potential for applications in solar cells, LEDs, and infrared sensors. The work also highlights the suitability of these materials for agricultural and off-grid embedded systems, paving the way for more cost-effective, sustainable, and energy-efficient technologies. This thesis contributes valuable insights into the development of advanced embedded systems with a focus on renewable energy solutions, offering a foundation for future research in the field.