Rational design of an Fe cluster catalyst for robust nitrogen activation
Tianyi Dai, Xingyou Lang, Zhili Wang, Zi Wen, Qing Jiang
Abstract
A robust N 2 activation mode is proposed via transferring electrons to the N 2 –π* orbitals, p y and p z .
Topics & Concepts
CatalysisCluster (spacecraft)Atomic orbitalElectronRational designNitrogenChemistryMaterials sciencePhysicsComputer scienceNanotechnologyQuantum mechanicsOrganic chemistryProgramming languageAmmonia Synthesis and Nitrogen ReductionAdvanced Photocatalysis TechniquesCatalytic Processes in Materials Science