Pushing the Detailed Balance Limit in III–V Semiconductor Photoconversion with Bandgap-Engineering Multijunction Architectures

The calculation of the limiting efficiency and structural optimization of solar cells based on the detailed balance principle is systematically investigated in this study. Through modeling and numerical simulations of various cell architectures, the theoretical efficiency limits of these structures under AM1.5G (Air Mass 1.5 Global) spectrum were quantitatively evaluated. Through a comprehensive consideration of the effects of bandgap and composition, the Al0.03Ga0.97As/Ge (1.46 eV/0.67 eV) cell configuration was determined to achieve a high theoretical efficiency of 43.0% for two-junction cells while maintaining satisfactory lattice matching. Furthermore, the study proposes that incorporating a Ga0.96In0.04As (8.3 nm)/GaAs0.77P0.23 (3.3 nm) strain-balanced multiple quantum wells (MQWs) structure enables precise bandgap engineering, modulating the effective bandgap to the optimal middle-cell value of 1.37 eV, as determined by graphical analysis for triple junctions. This approach effectively surpasses the efficiency constraints inherent in conventional bulk-material III–V semiconductor solar cells. The results demonstrate that an optimized triple-junction solar cell with MQWs can theoretically achieve a conversion efficiency of 51.5%. This study provides a reliable theoretical foundation and a feasible technical pathway for the design of high-efficiency solar cells, especially for the emerging MQW-integrated III–V semiconductor tandem cells.