Design and optimization of high-performance organic solar cells based on DPPEZnP-TBO active layer

Abstract

We have reported the design and simulation of an advanced multilayer organic photovoltaic (OPV) cell structure incorporating Di-(phenyl phosphoryl)-ethyl zinc porphyrin-thiophene benzothiadiazole (DPPEZnP-TBO), which has been used as an organic active layer in solar cells. DPPEZnP-TBO has exhibited exceptional light absorption and charge-transport properties. The integration of this material into solar cell architecture has significantly enhanced key performance metrics, including short-circuit current density (JSC), open-circuit voltage (VOC), fill factor (FF), and power conversion efficiency (PCE), resulting in substantial overall performance improvements. The influence of factors such as active-layer thickness, operating temperature, and series resistance (RS) on the solar cell's performance has been systematically analysed to determine optimal conditions. At 325 K, the device has exhibited a VOC of 1.11 V, a JSC of −2.59 mA/cm², an FF of 79%, and a PCE of 2.32%. With a 40 nm front sub-cell active-layer thickness, the VOC has increased to 1.12 V, JSC has improved to −2.74 mA/cm², and the PCE has reached 2.44%. The FF has remained at 79%. With a series resistance of 500 Ω, the VOC has remained at 1.12 V, JSC at −2.59 mA/cm², FF at 79%, and PCE at 2.28%. The results have indicated promising approaches to enhancing the efficiency of bulk heterojunction solar cells.