Phosphorus-doped graphene and (8, 0) carbon nanotube: Structural, electronic, magnetic properties, and chemical reactivity

► P dopant drastically changes the geometrical structure of graphene or CNT. ► P-doping induces localized electronic states into graphene and CNTs, thus modifying the electronic properties by producing n-type behavior. ► Due to P doping, the graphene and CNT exhibit magnetic nature. ► The chemical reactivity of graphene or CNT toward O2, NO, and NO2 is enhanced in various ways after P doping.