Effect of structural defects in graphene on the geometry and electronic properties of adsorbed lanthanide bisphthalocyanines: A DFT analysis

•Lanthanide bisphthalocyanines are adsorbed on pristine and defect-containing graphene models.•Phthalocyanine macrocycles suffer distortion, to a variable degree.•The strongest bonding is observed on pristine and Stone-Wales defect-containing graphene.•The weakest adsorption was found on pyracylene units, on the external model surface.