This article uses first principles calculations to study the electronic transport properties of two-dimensional materials germanium selenide (GeSe), tin sulfide (SnS), and their SnS/GeSe van der Waals heterostructures for adsorbing three sulfur gases. Through total energy calculations, we determined that H 2 S and SO 2 tend to adsorb more readily to the vacancies on the surfaces of GeSe, SnS, and the SnS/GeSe heterojunctions, whereas SO 3 shows a stronger preference for adsorbing to the top sites. By analyzing the band structure of sulfur gases...
