First‐Principles Design of Cubic Spinel ZnIn2S4 With Enhanced Carrier Transport, Optical Response, and Mechanical Stability for Photocatalytic and Optoelectronic Applications
ZnIn2S4 is a ternary sulfide semiconductor that has attracted significant interest because of its promising photoelectric and photocatalytic properties, which are strongly governed by its electronic structure and carrier transport behavior. In this study, first‐principles density functional theory (DFT) calculations ar...