A density functional theory(DFT) method (periodic DMol3) with full geometry optimization was used to investigate the adsorption of four phenothiazine based
Recently,it was reported that crystals of the organic material TTF derivatives bearing phthalimides and fluorinated alkyl moieties have high field-effect ch
Density functional theory calculations were carried out to investigate the effect of nitrogen atoms on the reorganization energy (λ) of charge-transport pr