Numerical Analysis and Optimal Design of 2D Dion–Jacobson Perovskite Solar Cells

Here, we use sophisticated numerical simulations to perform a detailed study of 2D Dion-Jacobson (DJ) phase halide perovskite solar cells (PSCs). Our objective is to investigate the ways in which various parameters impact these devices' performance and to determine the optimal design configurations. In particular we investigate how the efficiency of 2D DJ perovskite solar cells is affected by variations in defect density at the interfaces of CdZnS/PeDAMA<inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">5</inf>Pb<inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">6</inf>I<inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">19</inf> and PeDAMA<inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">5</inf>P<inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">6</inf>I<inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">19</inf>/CdTe. With a <tex xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">$V_{oc}$</tex> of 0.92 V, a FF of 65.63%, an overall efficiency of 15.27%, and a <tex xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">$J_{sc}$</tex> of 25.29 mA/cm<sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sup>, the optimized design exhibits remarkable performance parameters. These findings demonstrate the great potential for raising DJ phase halide perovskite solar cells' efficiency.