Numerical Modeling and Optimization of Solar Cells Based on the WSe2/MoS2 p-n Heterojunctions

Solar cells (SCs) based on two-dimensional (2D) materials are of constant interest among engineers and scientists for applications in the field of renewable solar energy. The main advantages are their high efficiency of solar energy conversion, long-term stability, and low cost of production. However, to achieve maximum performance, it is necessary to investigate and optimize these elements. In this work, an analysis of the performance characteristics of solar cells based on the WSe<inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</inf> absorbing layer and the MoS<inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</inf> transport layer was carried out, and the optimal conditions for obtaining a solar energy conversion efficiency of 24.26% were determined. Light is absorbed by the WSe<inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</inf> layer, forming electron-hole pairs (excitons). Due to the difference in energy levels at the heterojunction interface, excitons are separated into free electrons and holes. Electrons move into the MoS<inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</inf> layer, and holes remain in the absorber layer, providing charge separation and reducing recombination. Free electrons and holes are transported to the corresponding electrodes, generating an electric current. As a result of the research, a series of computer simulations of the operating characteristics of photovoltaic solar energy converters was performed, skills were acquired in working with transport models, and conclusions were drawn regarding the specifics of their application.