Adsorption of SO2 molecule on Ni-doped and Pd-doped graphene based on first-principle study
Xin Gao, Qu Zhou, Jingxuan Wang, Lingna Xu, Wen Zeng
Topics & Concepts
GrapheneAdsorptionDopingDensity functional theoryMaterials scienceMoleculeAtomic orbitalDensity of statesChemical physicsComputational chemistryCondensed matter physicsNanotechnologyPhysical chemistryChemistryOptoelectronicsQuantum mechanicsPhysicsOrganic chemistryElectronGas Sensing Nanomaterials and Sensors2D Materials and ApplicationsCatalytic Processes in Materials Science