The electronic and structural properties of single wall carbon nanotubes (SWCNTs) interacted with 4-amino phenyl-azobenzene were theoretically investigated by using the hybrid DFT (hybrid-density functional theory) calculations. The amount of thermodynamic parameters of this reaction in the gas and aqueous phase suggesting thermodynamic favourability for adsorption of 4-amino phenyl-azobenzene ...

Spin-polarized electronic and transport properties of Armchair GraphdiyneNanoribbons (A-GDYNR) with single vacancy (SV), two types of configurations fordouble vacancy (DV1, DV2) and multi vacancy (MV) defects are studied by nonequilibriumGreen’s function (NEGF) combined with density functional theory (DFT).The results demonstrate that the A-GDYNR with the SV has the lowe...

The electronic and structural properties of single wall carbon nanotubes (SWCNTs) interacted with 4-amino phenyl-azobenzene were theoretically investigated by using the hybrid DFT (hybrid-density functional theory) calculations. The amount of thermodynamic parameters of this reaction in the gas and aqueous phase suggesting thermodynamic favourability for adsorption of 4-amino phenyl-azobenzene ...