Structural, electronic and mechanical properties of few-layer porous nanosheet from spheroidal cage-like ZnO polymorph
Structural, electronic and mechanical properties of few-layer porous nanosheet from spheroidal cage-like ZnO polymorph
Optimized geometries, formation energy, phonon spectra, electronic band structure, and elastic tensor calculation has ensured the energetically, dynamical and mechanical stability for the sheets. Furthermore, the theoretically found nanosheet series possess an intrinsic wide direct band gap preserving from wurtzite tetragonal-based bonding. This high symmetry wide bandgap semiconductor nanosheet series and their derivatives are expected to have broad applications in photocatalysis, and biomedici