TWO-DIMENSIONAL ZnO NANOSTRUCTURES: A COMPREHENSIVE REVIEW

Abstract

Two-dimensional ZnO nanostructures are attractive for photocatalysis, sensors, and nanoelectronics because they have special mechanical, optical, and electrical characteristics that set them apart from bulk ZnO. The stability of planar honeycomb ZnO monolayers with a direct bandgap has been demonstrated by DFT research[1] whereas Zn-3d electron localization is improved by hybrid and DFT+U approaches[2]. Large-scale defect regulation and vacancy effects are addressed by classical MD simulations, which enhance these investigations. Additionally, recent research demonstrates vacancy-enhanced photocatalysis in ZnO nanosheets and strain-induced phase transitions in ZnO nanofilms.[3] The combination of classical and DFT  simulations offers a thorough foundation for customizing 2D ZnO for device applications.