Heteroatoms (B, N, and P) doped on nickel-doped graphene for phosgene (COCl2) adsorption: insight from theoretical calculations
Diana O. Odey, Henry O. Edet, Hitler Louis, Terkumbur E. Gber, Adanna D. Nwagu, Stephen A. Adalikwu, Adedapo S. Adeyinka
Topics & Concepts
HeteroatomGrapheneAdsorptionDensity functional theoryNickelDopingBinding energyMaterials scienceNanomaterialsMoleculePhysical chemistryComputational chemistryChemistryNanotechnologyOrganic chemistryRing (chemistry)Atomic physicsPhysicsOptoelectronicsMetallurgyGraphene research and applicationsBoron and Carbon Nanomaterials Research2D Materials and Applications