Reaction mechanism and kinetics for N<sub>2</sub> reduction to ammonia on the Fe–Ru based dual-atom catalyst
Faisal Rehman, Soonho Kwon, Md Delowar Hossain, Charles B. Musgrave, William A. Goddard, Zhengtang Luo
Abstract
To understand the reaction mechanism and kinetics of N 2 reduction reaction and competing hydrogen evolution reaction on the dual-atom catalyst as a function of applied potential by applying the Grand canonical potential kinetics.
Topics & Concepts
KineticsCatalysisChemistryReaction mechanismAtom (system on chip)Chemical kineticsAmmoniaDual functionDual (grammatical number)Reduction (mathematics)Mechanism (biology)Ammonia productionHydrogen atomPhysical chemistryPhysicsOrganic chemistryMathematicsComputer scienceComputer graphics (images)AlkylGeometryQuantum mechanicsArtEmbedded systemLiteratureContouringAmmonia Synthesis and Nitrogen ReductionCatalytic Processes in Materials ScienceElectrocatalysts for Energy Conversion