Presentation Details
| Computational Modeling of Cs2CuSbCl6 Double Perovskite Solar Cells Sarang Srikanth1, 2. 1William Mason High School, Mason, OH, USA.2Wright Center for Photovoltaics Innovation and Commercialization, Toledo, OH, USA |
Abstract
Lead-free all-inorganic perovskite materials are of great interest to address the stability issues of conventional organic-inorganic lead perovskites. Recently, the ligand-assisted reprecipitation synthesis of the double perovskite Cs2CuSbCl6 has shown promise as an absorber material, with an indirect band gap of 1.66 eV. In this work, SCAPS-1D is used to computationally assess Cs2CuSbCl6-based solar cells under varied operating conditions. Firstly, charge transport layers are evaluated by screening 25 different ETL/HTL configurations using an ITO substrate, with the Cs2CuSbCl6 absorber’s thickness being set to 900 nm. Initial results revealed a champion PCE of 25.2%, a Voc of 1.48 V, a Jsc of 18.47 mA/cm2, and a FF of 91.61% using an Nb2O5 ETL and CuSCN HTL. The effects of band gap grading on Cs2CuSbCl6 were subsequently investigated on the ITO/Nb2O5/Cs2CuSbCl6/CuSCN device from 1.6 to 1.8 eV, revealing a ~3.4% efficiency improvement driven by quasi-fermi level separation as the band gap increased to 1.8 eV. Varying working temperature from 230-410 K demonstrated a significant decrease in PCE (~3.9%) due to shortened carrier lifetimes at increasing temperatures. Furthermore, both ideal and non-ideal conditions are identified for Cs2CuSbCl6, with a champion computational PCE of 29.16% at an optimal doping concentration, defect density, and band-gap. This computational analysis demonstrates a theoretical framework for Cs2CuSbCl6 absorbers, and is one of the first studies of the evaluated architecture proposed.
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