Unravelling the Impact of Material Parameters on Performance of Perovskite Photovoltaics Through Multiscale Simulations

Although still a long way from achieving a similar commercial success, recent results have made perovskite photovoltaics (PPVs) emerge as the most promising alternative to silicon PVs. The material properties of various layers constituting a cell are quite critical for their performance. In this report, we investigate the impact of material parameters namely thickness, defect, and doping concentration on performance of cell using SCAPS-1D. Further, we extend the analysis to grid-connected PV system using PVsyst. We observe that material parameters have severe impact on both cell power conversion efficiency (PCE) as well as the performance ratio (PR<sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">avg</sub>) and output energy generation (E<sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">grid</sub>). The performance of cell optimized in terms of thickness, defect, and doping of various layers yield V<sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">oc</sub>, J<sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">sc</sub>, FF, and PCE as 1.17 V, 22.9 mA/cm<sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sup>, 84.1%, and 22.54% respectively. Moreover, PRavg and Egrid of system configured using optimized cell metrics are quite encouraging as 86.1% and 255.4 MWh/yr. Furthermore, we analyze the impact of absorber layer mobility variability on performance reproducibility of optimized cell and system. The calculated mean value of PCE, PR<sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">avg</sub>, and E<sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">grid</sub> are 22.51%, 86.3%, and 255.9 MWh/yr respectively with respective standard deviation as 0.056%, 0.5%, and 1.8 MWh/yr against mobility of (1.82 ± 0.59) cm<sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sup>/V-s. Lastly, we observe that net CO<sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sub> emission saving of the optimized PV system is 7171.4 tonnes. The results will be of great interest and motivation to researchers, manufacturers and environmentalists devoted to the development of the next generation PPV systems.