@article{Ziani_Assiouan_Ben Abdelouahab_El Harouny_El Hadri_Abdelouahab_2025, place={Tripoli,Libya.}, title={Theoretical Insights into a High-Performance Optical Absorption in GaSeS/InSeS 2D van der Waals Heterostructure for Photovoltaic Applications}, volume={14}, url={https://jsesd-ojs.csers.ly/ojs/index.php/jsesd/article/view/986}, DOI={10.51646/jsesd.v14iSTR2E.986}, abstractNote={<p>Advances in heterostructure design are transforming electronic and optoelectronic technologies, with particular focus on Janus monolayer-based heterojunctions. These heterojunctions, arising from the broken symmetry of 2D materials, offer new possibilities for ultra-thin, high-performance vertical p-n heterojunction solar cells. In this study, we examine the electronic structure and optical properties of a 2D GaSeS/InSeS heterostructure, formed through van der Waals interactions, based on first-principles calculations using density functional theory (DFT). The heterostructure consists of Janus group III chalcogenide GaSeS and InSeS monolayers (MLs).</p> <p>The electronic properties show that both the AA and AB stacking configurations exhibit indirect semiconductor band gaps, with values of 1.3207 eV and 1.3452 eV using the PBE (Perdew-Burke-Ernzerhof) functional, and 2.0997 eV and 2.1242 eV using the Heyd-Scuseria-Ernzerhof (HSE06) hybrid functional, respectively. Both configurations also display the characteristic features of type-II heterojunctions, which promote efficient separation of photogenerated electrons and holes. Charge density analysis reveals a transfer of charge from GaSeS to InSeS.</p> <p>Furthermore, optical analysis shows that both stacking configurations (AA and AB) exhibit similar absorbance spectra, primarily in the UV range, with peak absorption around 11.6 × 10⁵ cm⁻¹. Within the visible spectrum, the maximum absorption rate for both configurations is 2.8 × 10⁵ cm⁻¹. The 2D GaSeS/InSeS heterostructure holds great potential as a high-performance material for future photovoltaic devices, with promising applications in both photovoltaic cells and optoelectronic systems.</p>}, number={STR2E}, journal={Solar Energy and Sustainable Development Journal}, author={Ziani, Hanan and Assiouan, Kamal and Ben Abdelouahab, Fatima Zohra and El Harouny , El Hassan and El Hadri , Mustapha and Abdelouahab, Farid Ben}, year={2025}, month={Oct.}, pages={180–197} }