用于提升碳基钙钛矿太阳能电池性能的新型立方纳米粒子设计

Abstract Superior stability is exhibited by hole transport layer (HTL)-free carbon-based perovskite solar cells (C-PSCs) compared to their HTL-equipped counterparts due to the elimination of the HTL layer and metal contact. However, a lower power conversion efficiency (PCE) is observed in these cells. The PCE of the PSCs is primarily determined by the absorption of light photons by the absorber layer. Photon absorption at long wavelengths is enhanced by incorporating plasmonic nanostructures in the photoactive region of PSCs due to localized surface plasmon resonance (LSPR) effects. Nevertheless, this enhancement also results in optical losses or parasitic absorption by the nanoparticles (NPs). In this theoretical study, the finite-difference time-domain (FDTD) method was used to improve the absorption of HTL-free C-PSCs by incorporating cubic NPs made of aluminum (Al), silver (Ag), gold (Au), and copper (Cu). Better absorption improvements were achieved by designing these cubic NPs in metal–metal and metal-dielectric layered configurations than traditional monometallic samples. Additionally, the optical losses of the NPs were significantly reduced by the use of dielectric materials like silica (SiO 2 ), aluminum oxide (Al 2 O 3 ), and titanium oxide (TiO 2 ). The best results were provided by Al-Al 2 O 3 cubic NPs, with a short-circuit current density (J SC ) of 24.87 mA/cm 2 , an open-circuit voltage of 1.07 V, a fill factor of 88.93 %, and a PCE of 23.66 %. Increases of 53.3 % and 64.5 % in J SC and PCE, respectively, were achieved by the introduction of these NPs compared to PSCs without NPs. A theoretical foundation for designing advanced cubic NPs for high-efficiency HTL-free C-PSCs is provided by this research.