<i>In silico</i> design of novel NRR electrocatalysts: cobalt–molybdenum alloys
Blanca Castellano-Varona, Moussab Harb, J. Araña, Luigi Cavallo, Luis Miguel Azofra
Abstract
Cobalt-molybdenum alloys can stabilise the elusive N<sub>2</sub>H as the first reduced intermediate species in nitrogen reduction reaction (NRR).
Topics & Concepts
MolybdenumCobaltRedoxChemistryNitrogenInorganic chemistryIn silicoCombinatorial chemistryMaterials scienceOrganic chemistryBiochemistryGeneAmmonia Synthesis and Nitrogen ReductionAdvanced Photocatalysis TechniquesHydrogen Storage and Materials