Beyond the thermodynamic volcano picture in the nitrogen reduction reaction over transition-metal oxides: Implications for materials screening
Kai S. Exner
Topics & Concepts
CatalysisChemistryDensity functional theoryTransition metalAmmonia productionOverpotentialTransition stateHalf-reactionInorganic chemistryComputational chemistryThermodynamicsChemical physicsPhysical chemistryOrganic chemistryElectrochemistryElectrodePhysicsAmmonia Synthesis and Nitrogen ReductionAdvanced Photocatalysis TechniquesElectrocatalysts for Energy Conversion