Tunable band alignment and large power conversion efficiency in a two-dimensional InS/ZnIn₂S₄ heterostructure.

ABSTRACT: Heterostructures can efficiently modulate the bandgap of semiconductors and enhance the separation of photocarriers, thereby enhancing the performance of optoelectronic devices. Herein, we design an InS/ZnIn₂S₄ van der Waals (vdW) heterostructure and investigate its electronic and photovoltaic properties using first principles calculation. Compared to its individual monolayers, the InS/ZnIn₂S₄ heterostructure not only possesses a smaller band gap of 2.21 eV and superior light absorption performance in the visible short-wavelength region (<500 nm) but also forms a type-II₁ band alignment. Moreover, a large power conversion efficiency (PCE) of 10.86% is achieved. The transformation of the band alignment from type-II₁ to type-I

SUBMITTER: Liu HY 

PROVIDER: S-EPMC11664243 | biostudies-literature | 2024 Dec

REPOSITORIES: biostudies-literature