| Summary: | Benefiting from the advantages of a high absorption coefficient, a long charge diffusion length, excellent carrier mobility, and a tunable bandgap, three-dimensional (3D) metal halide perovskites exhibit great potential for application in solar cells. However, 3D perovskite solar cells (PSCs) often suffer from poor long-term stability against moisture, heat, and light. To address this issue, reducing the dimension of perovskite and forming two-dimensional (2D) perovskites can be effective in slowing down the oxidation of the perovskite film and significantly improving device stability. In this study, 2D PSCs were designed with glass/FTO/TiO<sub>2</sub>/Dion–Jacobson (DJ) perovskite/NiOx/Au structures, based on the solar cell simulation software SCAPS. The absorption layers employed in the study included PeDAMA<sub>2</sub>Pb<sub>3</sub>I<sub>10</sub>, PeDAMA<sub>3</sub>Pb<sub>4</sub>I<sub>13</sub>, PeDAMA<sub>4</sub>Pb<sub>5</sub>I<sub>16</sub>, and PeDAMA<sub>5</sub>Pb<sub>6</sub>I<sub>19</sub>. The influence of the conduction band offset (<i>CBO</i>) variation in the range of −0.5 to 0.5 eV on cell performance was explored through a numerical simulation. The simulation results indicate that the open-circuit voltage and fill factor continue to increase, whereas the short-circuit current density remains almost unchanged when the <i>CBO</i> increases from −0.5 eV to 0 eV. The devices exhibit better performance when the value of the <i>CBO</i> is positive and within a small range. For DJ PSCs, controlling the <i>CBO</i> within 0.1–0.4 eV is conducive to better cell performance.
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