Two-dimensional MXO/MoX₂ (M = Hf, Ti and X = S, Se) van der Waals heterostructure: a promising photovoltaic material.

ABSTRACT: Nanoscale materials with multifunctional properties are necessary for the quick development of high-performance devices for a wide range of applications, hence theoretical research into new two-dimensional (2D) materials is encouraged. 2D materials have a distinct crystalline structure that leads to intriguing occurrences. Stacking diverse two-dimensional (2D) materials has shown to be an efficient way for producing high-performance semiconductor materials. We explored a 2D nanomaterial family, an MXO/MoX₂ heterostructure (M = Hf, Ti and X = S, Se), for their various applications using first-principles calculations. We discovered that all of the heterostructure materials utilized are direct band gap semiconductors with band gaps ranging from 1.0 to 2.0 eV, with the exception of

SUBMITTER: Sibhatu AK 

PROVIDER: S-EPMC9344374 | biostudies-literature | 2022 Jul

REPOSITORIES: biostudies-literature