1. 2 New Materials and Concepts for Cells and Modules
Summary / Abstract:
2D semiconducting indium selenide -In2Se3 nanofilms and layered crystal have recently attracted a lot of attention . Contrary to the one-atomic thick flat graphene-like materials, the elemental 2D In2Se3 layer contains five alternating Se and In atoms, forming quintuple layer (QL) of hexagonal symmetry (see figure) and each QL is bonded by a weak van der Waals (vdW) force. A possibility of 2D band gap tuning in In2Se3 and its out-ofplane ferroelectricity offer a wide range of device applications, including, e.g., 2D heterojunctions and photovoltaics. To characterize In2Se3 gap modification, we simulated from the first principles structural and optical properties of various 2D pristine In2Se3 and vdW bonded nanolayers: one QL, its bilayer, trilayer, and hydrogenated films.