Interaction studies of dichlobenil and isoproturon on square-octagon phosphorene nanotube based on DFT frame work
M.S. Jyothi, V. Nagarajan, R. Chandiramouli
Topics & Concepts
PhosphoreneStackingChemisorptionDensity functional theoryAdsorptionMoleculeBand gapChemical physicsDensity of statesComputational chemistryNanotubeMaterials scienceChemistryNanotechnologyCarbon nanotubePhysical chemistryOrganic chemistryPhysicsCondensed matter physicsOptoelectronics2D Materials and ApplicationsMXene and MAX Phase MaterialsBoron and Carbon Nanomaterials Research