Exploring properties of organometallic double perovskite (CH3NH3)2AgInCl6: A novel material for energy conversion devices

• DOI: 10.1142/s0217984924501446
• Publication Date: 2023-12-13T11:25:40Z
• Authors: Upasana Rani; Peeyush Kumar Kam...; Rashmi Singh; Tanuj Kumar; Rajeev Gupta; Samah Al-Qaisi; Kulwinder Kaur; Ajay Singh Verma
• Keywords: 01 natural sciences; 0104 chemical sciences

Distinct types of materials are being explored for usage in thermoelectric (TE) and photovoltaic (PV) systems order to alleviate the energy problem. In create nontoxic, more stable, best-performance convergence devices, state-of-the-art hybrid halide double perovskites (HHDPs) compound has been identified as a potential TE material replacement hazardous lead. We have proposed new HHDP (CH 3 NH[Formula: see text]AgInCl 6 performed its theoretical investigation via full linear augmented plane wave (FP-LAPW) method. The computational results show that studied exhibits direct bandgap 3.708[Formula: text]eV exceptional PV characteristics ultraviolet (UV) region. obtained thermodynamic (TD) confirm titled is thermally stable at various temperatures pressures. At 300 K, examined highest ZT (=2.23) p-region. Materials with higher e values substantially important generating electrical through waste heat. result validates use these devices ambient temperature. parameters this computed first time. This study identifies novel compound. Through an in-depth exploration properties, offers valuable insight further research applications clean systems.