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Unveiling the Impact of Electron Transport Layer and Hole Transport Layer Variations on Cs‐Based Perovskite Solar Cells: A Combined Electrical and Optical Simulation Approach

Year: 2025
Type: article
Abstract: Perovskite solar cells (PSCs) have gained significant attention due to their high‐power conversion efficiencies (PCE) and versatile material properties. This study uses advanced simulations with OghmaNano to explore the influence of electron transport layers (ETLs) and hole transport layers (HTLs) in cesium‐based PSCs, specifically with Cs2AgBiBr6 as the absorber material. By analyzing ZnO, SnO2, and TiO2 as ETLs and NiOx and Cu2O as HTLs, this study determines the impact of layer properties and thickness on critical performance metrics, including PCE, Voc, and Jsc. The study's simulations reveal that optimal absorber layer thicknesses are 100 nm for ZnO and SnO2 and 400 nm for TiO2, achieving a peak PCE of 17.11% in the TiO2/Cu2O configuration. This study also observes that SnO2‐based devices exhibit superior charge extraction capabilities due to reduced trap states, leading to a more stable voltage output. Additionally, photon recycling effects in Cs2AgBiBr6 increase Jsc by up to 5%, a novel finding for cesium‐based PSCs. Energy‐level alignment analysis shows that TiO2/Cu2O minimizes recombination, enhancing fill factor and efficiency. Photon density distribution and energy‐level spectra reveal the interplay between optical absorption, charge dynamics, and interface energetics, guiding device architecture optimization. These findings offer key insights for improving lead‐free perovskite photovoltaics, enhancing efficiency and stability in future applications.
Source: ChemNanoMat
DOI: 10.1002/cnma.202500032
Language: English
Open Access status: bronze
OpenAlex ID: W4409403539
FWCI: 1.386
Cites: 39
Cited by: 6
Related to: 10