Artigo
Periodic density functional theory study of structural and electronic properties of single-walled zinc oxide and carbon nanotubes
Writers: Naiara L. Marana, Anderson R. Albuquerque, Felipe A. La Porta, Elson Longo, Julio R. Sambrano Keywords: ZnO nanotubes; DFT; Strain energy Abstract: Periodic density functional theory calculations with the B3LYP hybrid functional and all-electron […]