A density functional theory study of the mechanism and onset potentials for the major products of NO electroreduction on transition metal catalysts
Caitlin A. Casey-Stevens, Hrólfur Ásmundsson, Egill Skúlason, Anna L. Garden
Topics & Concepts
Density functional theoryTransition metalChemistryCatalysisTransition stateNOxReaction mechanismMetalInorganic chemistryMechanism (biology)Computational chemistryPhysical chemistryOrganic chemistryCombustionEpistemologyPhilosophyAmmonia Synthesis and Nitrogen ReductionCatalytic Processes in Materials ScienceElectrocatalysts for Energy Conversion