Design and Device Numerical Analysis of Lead-Free Cs2AgBiBr6 Double Perovskite Solar Cell

The advancement of lead-free double perovskite materials has drawn great interest thanks to their reduced toxicity, and superior stability. In this regard, Cs2AgBiBr6 perovskites have appeared as prospective materials for photovoltaic (PV) applications. In this work, we present design and numerical simulations, using SCAPS-1D device simulator, of Cs2AgBiBr6-based double perovskite solar cell (PSC). The initial calibrated cell is based on an experimental study in which the Cs2AgBiBr6 layer has the lowest bandgap (E-g = 1.64 eV) using hydrogenation treatment reported to date. The initial cell (whose structure is ITO/SnO2/Cs2AgBiBr6/Spiro-OMeTAD/Au) achieved a record efficiency of 6.58%. The various parameters that significantly affect cell performance are determined and thoroughly analyzed. It was found that the conduction band offset between the electron transport layer (ETL) and the Cs2AgBiBr6 layer is the most critical factor that affects the power conversion efficiency (PCE), in addition to the thickness of the absorber film. Upon engineering these important technological parameters, by proposing a double ETL SnO2/ZnO1-xSx structure with tuned absorber thickness, the PCE can be boosted to 14.23%.

Automated summary

The advancement of lead-free double perovskite materials, such as Cs2AgBiBr6, for photovoltaic applications has gained significant interest. This study presents the design and numerical simulations of a Cs2AgBiBr6-based double perovskite solar cell using the SCAPS-1D device simulator. By engineering important technological parameters, such as the conduction band offset and the thickness of the absorber film, the power conversion efficiency can be boosted to 14.23%.