First principles study on the structural properties of 13 transition metal doped CdS and the reaction mechanism of ammonia synthesis
Zufan Yang, Yue Meng, Bo Xie, Zheming Ni, Shengjie Xia
Topics & Concepts
CatalysisTransition metalCadmium sulfideChemistryRedoxSulfideInorganic chemistryAmmoniaAtom (system on chip)Density functional theoryMetalAmmonia productionDopingPhysical chemistryMoleculeReaction mechanismSelectivityMaterials scienceComputational chemistryBiochemistryOrganic chemistryEmbedded systemComputer scienceOptoelectronicsAmmonia Synthesis and Nitrogen ReductionAdvanced Photocatalysis TechniquesNanomaterials for catalytic reactions