Fig. 4: Optical properties and band structure of 2D Ni3TeO6.
From: Theoretical prediction and shape-controlled synthesis of two-dimensional semiconductive Ni3TeO6
a DFT predicted band structure of the 2D Ni3TeO6 calculated using HSE functional. b DFT predicted band structure of the 2D (red dashed line) and bulk (black line) NTOs calculated using GGA + U functional. c UV-Vis spectra of the 2D and bulk NTOs.
