Performance enhancement of a planar perovskite solar cell with a PCE of 19.29% utilizing MoS2 2D material as a hole transport layer: a computational study.

In recent years, there has been an exponential rush toward the optimization of solar cell (SC) performance utilizing novel materials. Overcoming the previous drawbacks of the SCs became possible through the special merits of the new materials, considering their high carrier mobility, environmental stability, and fabrication compatibility. In this study, two solar cell structures with Cs 2 TiBr 6 metal halide perovskite (PVK) as an absorber layer are proposed and compared. The proposed device structures utilize molybdenum disulfide (MoS 2 ), a 2D material with a thickness of 100 nm as a hole transport layer (HTL). (MoS 2 ) offers several useful properties such as high carrier mobility and great chemical and thermal stability. As a comparative result, two SC structures, TiO 2 /Cs 2 TiBr 6 /MoS 2 /PEDOT:PSS and TiO 2 /Cs 2 TiBr 6 /MoS 2 , were investigated. The Solar Cell Capacitance Simulator in One Dimension (SCAPS-1D) is utilized to perform numerical simulations of the proposed SC structures. The simulation results indicate a power conversion efficiency (PCE) of 18.39% and 19.29% for the structure in the presence and absence of the PEDOT:PSS layer, respectively. This study investigated factors concerning absorber layer thickness, trap density, doping density, temperature, series resistance, and shunt resistance. Furthermore, the simulation results thoroughly scrutinized the nature of phenomena influencing the short-circuit current density (J sc ), open circuit voltage (V oc ), fill factor (FF), and PCE. The power conversion efficiency of the structure with an optimum 357.9-nm-thick absorber layer with only MoS 2 as the HTL was 19.77%, while the device with a hybrid HTL has 18.78% efficiency. [ABSTRACT FROM AUTHOR]