Design of effective graphenes co-doped by transition metal and nonmetal atoms for nitrate electroreduction: A first-principles study
Lei Yang, Weihua Zhu
Topics & Concepts
GrapheneDensity functional theoryCatalysisTransition metalChemical physicsChemistryOxideFermi levelDopingComputational chemistryMaterials scienceInorganic chemistryNanotechnologyElectronPhysicsOptoelectronicsBiochemistryOrganic chemistryQuantum mechanicsAmmonia Synthesis and Nitrogen ReductionAdvanced Photocatalysis TechniquesNanomaterials for catalytic reactions