The electricalpropertiesandNMRparametersofthepristineandGa-dopedstructuresoftwo representative(8,0)zigzagand(4,4)armchairofboronphosphidenanotubes(BPNTs)havebeen investigated.Thestructuralgeometriesofabovenanotubeshavebeenallowedtorelaxbyoptimization and thentheisotropicandanisotropicchemicalshieldingparameters(CSIandCSA)of 11B and 31P have been calculatedbasedonDFTtheory.TheresultsrevealthattheinfluenceofGa-dopingwasmore significantonthegeometriesofthezigzagmodelthanthearmchairone.Thedifferenceofbandgap energiesbetweenthepristineandGa-dopedarmchairBPNTswaslargerthanthezigzagmodel. SignificantdifferencesofNMRparametersofthosenucleidirectlycontributedtotheGa-dopingatoms have beenobserved.
