The adsorption of sulfur dioxide and ozone molecules on boron nitride nanotubes: A DFT study

Amirali Abbasi

Volume 4, Issue 2 , April 2019, , Pages 147-156

https://doi.org/10.22090/jwent.2019.02.006

Abstract
  Density functional theory calculations were carried out to investigate the adsorption behaviors and electronic structures of SO2 and O3 molecules on the pristine boron nitride nanotubes. The structural and electronic properties of the studied systems were investigated in view of the adsorption energies, ...  Read More