Phosphorus and Selenium Co‐Doped WO₃ Nanoparticles for Interface Modification and Photovoltaic Properties Enhancement of Monolayer Planar Silicon/PEDOT:PSS Hybrid Solar Cells

Abstract Organic/silicon hybrid solar cells have attracted extensive attention owing to their low cost and simple manufacturing process. However, theoretical simulations indicate that the efficiency of organic/silicon hybrid solar cells should exceed 20%. This study demonstrates phosphorus and selenium co‐doped WO₃ nanoparticles used for heterojunction solar cell (HSC) modification and theoretically elaborates the effects of these doping elements. The doped WO₃ nanoparticles are added into poly(3,4‐ethylenedioxythiophene)/poly(styrenesulfonate) (PEDOT:PSS) films to optimize the physical properties and qualities of the organic layer. The admixture of P/Se‐WO_x greatly improves the open‐circuit voltage and fill factor of Si/PEDOT:PSS solar cell devices. In the hole transport layer (HTL)‐based device, the P/Se‐WO_x hybrid PEDOT:PSS HTL yields a power conversion efficiency up to 13.64%, which is substantially higher than those of previously reported undoped and doped devices. The generated W⁵⁺ in optimized WO₃ further indicates that the VI B group elements, such as W or Mo with 5+ state ions, positively influence the HSC performance and would greatly benefit the photovoltaic industry.