Unlocking the Potential of Nanoribbon-Based SbS/SbSe van-der-Waals Heterostructure for Solar-Energy-Conversion and Optoelectronics Applications.

High-performance nanosized optoelectronic devices based on van der Waals (vdW) heterostructures have significant potential for use in a variety of applications. However, the investigation of nanoribbon-based vdW heterostructures are still mostly unexplored. In this study, based on first-principles calculations, we demonstrate that a SbS/SbSe vdW heterostructure, which is formed by isostructural nanoribbons of stibnite (SbS) and antimonselite (SbSe), possesses a direct band gap with a typical type-II band alignment, which is suitable for optoelectronics and solar energy conversion.