Fundamental Physical Properties of Nontoxic Tin‐Based Formamidinium FASnX3 (X = I, Br, Cl) Hybrid Halide Perovskites: Future Opportunities in Photovoltaic Applications

• Published in: Energy technology (Weinheim, Germany) Vol. 10; no. 2
• Main Authors: Pachori, Sanjay, Agarwal, Rohit, Prakash, Bhanu, Kumari, Sarita, Verma, Ajay Singh
• Format: Journal Article
• Language: English
• Published: Weinheim Wiley Subscription Services, Inc 01.02.2022
• Subjects: absorption coefficient; Absorptivity; anisotropic factor; band-structure; Density functional theory; Mathematical analysis; Optical properties; Perovskites; Photovoltaic cells; Photovoltaics; Physical properties; Plane waves; power factor; Seebeck coefficient; Solar cells; Tin
• ISSN: 2194-4288; 2194-4296
• DOI: 10.1002/ente.202100709

To analyze potential alternatives, the fundamental physical properties such as structural, electronic, optical, elastic, thermoelectric, and thermodynamic parameters of tin‐based formamidinium FASnX3 (X = I, Br, Cl) hybrid halide perovskites by using density functional theory are investigated. The calculated results indicate that these compounds exhibit analogous band gap, considerable thermal and elastic stability, and notable optical properties with high dielectric constant and absorption coefficient, significant hole, and electron conductive behavior. The present research work shows as good absorbers for perovskite solar cells, adding to the validity of FP‐LAPW (full‐potential linearized augmented plane wave) methods, simultaneously enhancing the understanding of these practical hybrid perovskite materials. It may be believed that this study will be of a lot of credit for experimentalists for synthesis and characterization of these materials and will be done experimentally in future times due to the very good properties of photovoltaic applications. Herein, an extensive study of tin‐based formamidinium FASnX3 (X = I, Br, Cl) hybrid halide perovskites by using density functional theory is presented. Because of their novel properties and their applications in electronic, photovoltaic, and thermoelectric devices, these are promising materials for a more stable, cost‐effective, and sustainable hybrids compound for greater effectiveness solar cell industries.