Materials and interfaces properties optimization for high-efficient and more stable RbGeI3 perovskite solar cells: optoelectrical modelling

Abstract

In this research work, we investigated the effects of a broad set of materials properties and external operating parameters on the opto-electrical output of a hybrid RbGeI3-based perovskite solar cell (PSC) as a means of enhancing its performance. We first performed a judicious numerical modelling of the reference cell with the following structure FTO/TiO2/RbGeI3/Spiro-OMeTAD/Ag, with data retrieved from the experiment. SCAPS program enables to model the device, considering charge carriers transport governing equations. Investigations are directed on addressing the current challenges that include thinner, less environmentally harmful, cost-effectiveness, and more stable solar devices over time. Analysis of the effects of different hole transport material (HTM) on current–voltage (J-V) and external quantum efficiency (QE) characteristics, helps to identify CuI as an ideal HTM. Optimal cell output were achieved by investigating the effects of metal contact work function, defect states, RbGeI3 thickness, light transmission/reflection at the front/back contact, as well as operating temperature. As a result, efficiency increased significantly from 10.11 to 18.10%, and fill factor that represents a stability indicator, increased from 63.68 to 76.95%. Moreover, an optimum open-circuit voltage Voc = 0.70 V and a high short-circuit current density of Jsc = 33.51 mA/cm2 were recorded. An additional study on the capture cross-section of charge carriers ($${\sigma }_{n,p}$$ σ n , p ) on PV characteristics, enabled to achieve a power conversion efficiency (PCE) of 29.71% and FF of 88% at a value of $${\sigma }_{n,p}$$ σ n , p selected to be 10–22 cm2. This contribution aims at designing and producing thinner, more efficient, more stable and more environmentally clean and economically viable PSCs.

Design Insights and Photovoltaic Performance Analysis of Non-Lead Inorganic RbSnX3 (X = I, Br, Cl) Perovskites through Coupled Density Functional Theory and SCAPS-1D Simulation Frameworks

“…Assuming total transmission of the incident light flux at the front contact or no light reflection from the inner layers, including the back contact, is an impractical scenario. Obviously, not all incident light can be fully transmitted into the active layer, and a portion will definitely be lost due to absorption and reflection by other layers . We have used the light trasmittance and reflection model using SCAPS-1D to analyze the performance of the PSC.…”