Achieving 34 % efficiency with a dual-absorber solar cell design using CaRbCl3 and Ca3NCl3 perovskites

Abstract

This study’s DFT calculations show that the direct bandgaps of perovskite CaRbCl3 and Ca3NCl3 are 1.386 eV and 1.430 eV, respectively, confirming their semiconducting nature. The study also provides density of states and dielectric constant data for these materials. In photovoltaic (PV) technology, perovskites are highly valued as solar absorber materials for their exceptional optical properties, low cost, high efficiency, and lightweight design. This study presents a structure (Al/FTO/CdS/dual absorber (CaRbCl3/Ca3NCl3)/V2O5/Au) incorporating a CdS electron transport layer (ETL) and a V2O5 hole transport layer (HTL) with a double perovskite absorber layer (DPAL) of CaRbCl3 and Ca3NCl3 using SCAPS-1D. The results show that the DPAL-based perovskite solar cell (PSC) outperforms single-layer PSCs, with significant efficiency gains when HTL is included. The study thoroughly examines the effects of layer thickness, doping levels, and defect densities on key electrical parameters such as VOC, JSC, FF, and PCE. It also explores J-V and QE characteristics and the impact of temperature. The ideal absorber thickness for achieving the highest PCE is 500 nm for CaRbCl3 and 600 nm for Ca3NCl3, combined with a doping density of 1 × 1017 cm−3, a defect density of 1 × 1011 cm−3 and interface defect density of 1 × 1010 cm−2. While single-absorber solar cells achieve maximum efficiencies of 24.40 % (CaRbCl3) and 24.02 % (Ca3NCl3), the DPAL setup reaches an optimized efficiency of 27.66 %, further increasing to 34.39 % with a VOC of 1.295 V, FF of 83.95 %, and JSC of 31.63 mA/cm2 when using V2O5 HTL. This research provides valuable insights and a practical strategy for developing cost-effective CaRbCl3/Ca3NCl3 thin-film solar cells.