Adsorption of NO2 and CO molecules on Ni (1 1 1) supported defective Graphene: A DFT study
Lang Gao, Ming Zheng, Xin Zhou
Topics & Concepts
GrapheneAdsorptionVacancy defectDensity functional theoryMaterials scienceDensity of statesMoleculeAbsorption (acoustics)Charge densityChemical physicsPhysical chemistryComputational chemistryNanotechnologyChemistryCrystallographyCondensed matter physicsPhysicsOrganic chemistryComposite materialQuantum mechanicsGraphene research and applicationsGas Sensing Nanomaterials and SensorsZnO doping and properties