Transition-metal-atom-pairs deposited on g-CN monolayer for nitrogen reduction reaction: Density functional theory calculations
Bin Huang, Yifan Wu, Bibo Chen, Yong Qian, Naigen Zhou, Neng Li
Topics & Concepts
OverpotentialDensity functional theoryCatalysisTransition metalElectrochemistryChemistryMonolayerRedoxAtom (system on chip)Inorganic chemistryPhysical chemistryComputational chemistryElectrodeOrganic chemistryBiochemistryComputer scienceEmbedded systemAmmonia Synthesis and Nitrogen ReductionHydrogen Storage and MaterialsCatalytic Processes in Materials Science