Regulating the coordination environment through doping N atoms for single-atom Mn electrocatalyst of N2 reduction with high catalytic activity and selectivity: A theoretical study
Zhengyang Gao, Hanyu Huang, Shaopeng Xu, Linlin Li, Ge Yan, Mingliang Zhao, Weijie Yang, Xiaojun Zhao
Topics & Concepts
CatalysisElectrocatalystSelectivityChemistryDensity functional theoryAdsorptionElectrochemistryInorganic chemistryPhysical chemistryComputational chemistryOrganic chemistryElectrodeAmmonia Synthesis and Nitrogen ReductionAdvanced Photocatalysis TechniquesCaching and Content Delivery