A numerical investigation to design and performance optimization of lead-free Cs2TiCl6 based perovskite solar cells with different charge transport layers
S.S. Islam, M. Khalid Hossain, Md. Shihab Uddin, P Prabhu, Suhas Ballal, K Phaninder Vinay, V. Kavitha, Satish Kumar Samal, Abdullah M. S. Alhuthali, Mongi Amami, Apon Kumar Datta, Gazi Farhan Ishraque Toki, Rajesh Haldhar
Abstract
Abstract Among the most attractive light-absorbing materials, halide perovskites have been gaining popularity for their versatile range of use in solar cells, lasers, and photodetectors. Whereas, Titanium (Ti)-based all-inorganic perovskite solar cells (PSCs) have garnered attention for their optoelectronic capabilities in response to this situation. In this theoretical study, Cesium Titanium (IV) Halide based lead-free, eco-friendly, and stable Cs 2 TiCl 6 -based PSC has been proposed and a numerical simulation using SCAPS-1D has been carried out to enhance the cell performance by optimizing the device parameters. A different set of hole transport layers (HTLs) like MoO 3, ZnTe, CNTS, CuAlO 2, CdTe, nPB, C 6 TBTAPH 2, N: TiO 2, NiCo 2 O 4, and PBTTT-C14 was simulated in combination with electron transport layers(ETLs) such as CdS, Nb 2 O 5 , ZnSe, and MZO. After several cell optimizations like thickness, acceptor, donor, and defect concentration of selected four structures, the best cell structure are suggested e.g., FTO/CdS/Cs 2 TiCl 6 /CdTe/Au that shows a PCE of 18.15% along with the short circuit current density ( J SC ) of 17.83 mA/cm 2 , open-circuit voltage ( V OC ) of 1.188 V, fill factor (FF) of 89.51%. Among all devices, the solar cell performance decreases when series resistance ( R S ) and temperature are increased as opposed to shunt resistance ( R Sh ). The obtained results reveal that Cs 2 TiCl 6 -based PSC can contribute to the advancement of efficient non-toxic, all-organic perovskite solar cells in the future.