The interpenetrating network structure between the donor and acceptor materials of a polymeric intrinsic heterojunction photovoltaic cell is formed by nano-scale phase separation, which provides an effective transport channel for exciton diffusion. The aim of this paper is to investigate the performance study and optimization of solar cells based on the finite volume method. This paper investigates the interface and structure/performance optimisation of organic solar cells with the aim of revealing the mechanism of device performance enhancement. Anode modification of organic solar cells based on copper-titanocyanine: fullerene (CuPc: C60) system. To investigate the effect of anode modification on device performance, we introduced CuPc, MoO3, HPCzI and MoO3-doped HPCzI as the anode modification layers of the devices by vacuum vapour deposition. The HPCzI was designed and synthesised in our laboratory and was used as the anode modification for OPV devices for the first time in previous studies. The results show that the device efficiency is maximised when the HPCzI layer doped with 25% MoO3 is used as the anode modification layer. Energy level analysis shows that HPCzI has a better energy level match with ITO, which can improve the hole extraction efficiency. A study of charge transport performance reveals that the doping of HPCzI with MoO3 significantly improves the hole transport capability, which further explains the improved device performance. Active layer modification of organic solar cells based on poly-3-alkylthiophene: fullerene derivatives (P3HT: PC60BM) system. We have prepared p (P3HT) and n (PCBM) modified OPV devices by electrostatic spraying and optimised the p and n layer thicknesses. The results show that the p-modified devices as well as the p-and n-modified devices are more efficient than the devices without any modification. By analysing the charge transport performance of the corresponding single-carrier devices, both p-and n-modified active layers result in increased hole mobility and thus improved device performance. In this paper, the flux difference splitting format (FVM-FDS) based on the finite volume method is combined with the higher-order multistate Riemann solvers (HLL and HLLC), the high-precision reconstruction format (2nd order MUSCL and 5th order WENO) and the total variation-decreasing lunger-Kutta format (TVD-RK) for the 1D ideal MHD problem