Numerical study of MoSe2-based dual-heterojunction with In2Te3 BSF layer toward high-efficiency photovoltaics

Abstract In this study, molybdenum diselenide (MoSe 2 )-based dual-heterojunction with Indium Telluride (In 2 Te 3 ) as an absorber and a back surface field (BSF) layers with Al/ITO/CdS/MoSe 2 /In 2 Te 3 /Ni heterostructure has been studied by SCAPS-1D simulator. To explore the potentiality of layered materials in photovoltaic devices, a detailed investigation has been executed on the CdS window, MoSe 2 absorber, and In 2 Te 3 BSF layers at varied layer thicknesses, carrier concentrations, interface and defect densities, resistances, and operating temperatures. The photoconversion efficiency (PCE) of 24.78% with short circuit current J sc of 30.55 mA cm −2 , open circuit voltage V oc of 0.95 V, and fill factor FF of 85.5% were obtained in the reference cell (without the In 2 Te 3 BSF layer), while a notably improved PCE of 29.94% (5.16% higher) with J sc of 31.06 mA cm −2 , V oc of 1.10 V, and FF of 87.28% was achieved by inserting the In 2 Te 3 BSF layer. With a favorable band alignment and almost similar chemical and physical properties as transitional metal dichalcogenides (TMDCs) materials, the proposed dual heterostructure with CdS, MoSe 2 , and In 2 Te 3 exhibits huge potential as a photoactive material and paves a pathway for the fabrication of uniquely layered material-based thin, flexible high-efficiency solar cells.