First principles screening of transition metal single-atom catalysts for nitrogen reduction reaction
Tingting Bo, Shiqian Cao, Nan Mu, Ruixin Xu, Yanyu Liu, Wei Zhou
Topics & Concepts
CatalysisTransition metalDopantFaraday efficiencyChemistryAtom (system on chip)MonolayerNitrogenAmmonia productionSelectivityNitrogen atomMetalInorganic chemistryNanotechnologyMaterials scienceCombinatorial chemistryDopingPhysical chemistryElectrochemistryOrganic chemistryOptoelectronicsGroup (periodic table)ElectrodeComputer scienceEmbedded systemAmmonia Synthesis and Nitrogen ReductionAdvanced Photocatalysis TechniquesHydrogen Storage and Materials