Cataloguing MoSi₂N₄ and WSi₂N₄ van der Waals Heterostructures: An Exceptional Material Platform for Excitonic Solar Cell Applications (Adv. Mater. Interfaces 2/2023)

Abstract

van der Waals Heterostructures MoSi2N4 and WSi2N4 monolayers have recently emerged as promising 2D semiconductors for solid-state device applications. In article number 2201856 by Guangzhao Wang, Yee Sin Ang, and colleagues, 51 species of MoSi2N4-and WSi2N4-based van der Waals heterostructures are comprehensively catalogued using first-principle simulations. These heterostructures are found to exhibit exceptional electronic and optical properties, thus unravelling their enormous potential as building blocks of high-performance solar cell and UV optoelectronic device technology.