Dion-Jacobson perovskite solar cells: Further optimize the performance by SCAPS-1D simulation techniques

Abstract

With rising global energy demands and the emergence of novel energy forms, perovskite solar cells (PSCs) are becoming increasingly prominent due to their exceptionally high efficiency in converting power. The advantage of Dion-Jacobson (DJ) type 2D layered perovskite materials lies in their lack of interlayer van der Waals forces, coupled with hydrogen bonds at the extremities, necessitating additional external energy to break through their two-dimensional layered configuration, thereby greatly enhancing the materials' structural integrity. This study utilizes DJ type 2D layered perovskite material to tackle the stability problem. This study aimed to uncover the inherent effects of DJ type 2D perovskite substances by simulating the devices with SCAPS-1D (Solar Cells Capacitance Simulator) and modifying appropriate physical parameters to align closely with the outcomes reported in experiments. Simulation results indicate that factors such as the thickness of the absorber layer, the band gap, the operating temperature, and the thickness of the interfacial defect layer uniquely influence the device's performance. The optimal thickness for the absorbing layer was determined by its ability to absorb light. The aim is to boost the sensitivity of DJ type 2D layered perovskite materials to light across various wavelengths and to refine the PCE. During the simulation, the maximum PCE (26.57%) was attained by enhancing both the band gap width in the absorber layer and the hole transport layer. To delve deeper into the fluctuations in device efficiency in environments with low temperatures, this study established the temperature spectrum between 270 and 300 Kelvin. Investigations revealed that at 272 K, the PCE and FF stood at 28.33% and 83.79% respectively, indicating the effectiveness of DJ type 2D layered PSC in low-temperature applications, preserving structural integrity and superior efficiency relative to other PSCs. Consequently, this study offers a viable approach for creating DJ type 2D layered PSC, ensuring high efficiency and enduring stability in cooler conditions.