Rational design synergistic metal-free dual-atom electrocatalyst for N2 to NH3 reaction on g-CN: A first principle study
Xuefei Liu, Yuefei Zhang, Tianyun Liu, Wentao Wang, Zijiang Luo, Zhaocai Zhang, Wenjun Xiao
Topics & Concepts
ElectrocatalystCatalysisChemistryMetalDensity functional theoryAmmonia productionTransition metalAmmoniaSelectivityRedoxElectrochemistryInorganic chemistryCombinatorial chemistryComputational chemistryPhysical chemistryElectrodeOrganic chemistryAmmonia Synthesis and Nitrogen ReductionAdvanced Photocatalysis TechniquesHydrogen Storage and Materials