article · Journal of Materials Research and Technology
Lead-free double perovskite materials containing potassium, rubidium, or caesium alongside silver, bismuth, and iodine demonstrate notable optical and thermoelectric characteristics. Structural and thermodynamic evaluations, including computed tolerance factors and formation energies, confirm the stability of these compounds. Their energy band gaps measure 1.35 electronvolts for the potassium variant, 1.30 electronvolts for the rubidium variant, and 1.26 electronvolts for the caesium variant, placing them within the ideal range for solar energy conversion. In addition, these materials absorb light effectively across visible wavelengths. Evaluations of transport properties, including electrical conductivity, lattice thermal conductivity, and the Seebeck coefficient, indicate an excellent figure of merit at room temperature. Together, these optical absorption and thermoelectric traits suggest that these double perovskites hold substantial promise for deployment in solar cells and thermoelectric generator systems.
Finding non-toxic, lead-free materials that efficiently convert sunlight and heat into electricity is vital for clean energy technologies. These double perovskites exhibit both visible light absorption and solid room-temperature thermoelectric performance, presenting stable candidate materials for future solar power generation and thermal energy harvesting devices.
These findings are relevant to developers of solar cells and thermoelectric generators seeking lead-free semiconductor materials. The study appears to be early-stage materials modelling and property characterisation, meaning experimental synthesis, real-world device prototyping, and stability testing are still required before any commercial application is viable.
AI-generated from the published abstract. Always read the original work before citing.
The double perovskites became appealing over time for solar cells and optoelectronic applications due to their extraordinary optical and transport properties. Here, we investigate the optical and thermoelectric behavior of a newly developed perovskite X2AgBiI6 (X = K, Rb, Cs) DPs. To ensure structural stability, the computed tolerance factor falls in the appropriate range. The formation energy has also been incorporated for thermodynamic stability. The reported band gaps (1.35, 1.30, 1.26) eV for (K, Rb, Cs) fall in the ideal range which is extremely important for solar cells. Moreover, the studied DPs demonstrate light absorption characteristics in the visible wavelength range. The transport properties discussion has been provided in terms of electrical and lattice conductivities, Seebeck coefficient, and figure (ZT) of merit analysis. With an excellent ZT at room temperature and a suitable band gap for visible absorption, the presented DPs are promising for thermoelectric generators and solar cell applications.
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DOI: 10.1016/j.jmrt.2022.11.132
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