Unlocking the Potential of Nanoribbon-Based Sb2S3/Sb2Se3 van-der-Waals Heterostructure for Solar-Energy-Conversion and Optoelectronics Applications

• DOI: 10.1021/acsami.3c10868
• Publication Date: 2023-11-15T21:14:42Z
• Authors: Vinícius G. Garcia; Nathanael N. Batista; Diego A. Aldave; Rodrigo B. Capaz; Juan José Palacios; Marcos G. Menezes; Wendel S. Paz

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 nanoribbon-based vdW are still mostly unexplored. In this study, first-principles calculations, we demonstrate that Sb2S3/Sb2Se3 heterostructure, which is formed by isostructural nanoribbons stibnite (Sb2S3) and antimonselite (Sb2Se3), possesses direct band gap with typical type-II alignment, suitable optoelectronics solar energy conversion. Optical absorption spectra show broad profiles visible UV ranges all studied configurations, indicating their suitability photodevices. Additionally, 1D nanoribbons, see sharp peaks corresponding to strongly bound excitons fashion similar other quasi-1D systems. The heterostructure predicted exhibit remarkable power conversion efficiency (PCE) 28.2%, positioning it competitively alongside extensively two-dimensional (2D) heterostructures.