Theoretical screening of single-atom electrocatalysts of MXene-supported 3d-metals for efficient nitrogen reduction
Jin‐Nian Hu, Ling‐Chan Tian, Haiyan Wang, Yang Meng, Jinxia Liang, Chun Zhu, Jun Li
Topics & Concepts
CatalysisMXenesElectrocatalystTransition metalAmmonia productionAtom (system on chip)AdsorptionMetalDensity functional theoryRedoxCovalent bondMaterials scienceChemistryNitrogenElectron transferInorganic chemistryNanotechnologyPhysical chemistryElectrochemistryComputational chemistryElectrodeMetallurgyComputer scienceEmbedded systemBiochemistryOrganic chemistryMXene and MAX Phase MaterialsAmmonia Synthesis and Nitrogen ReductionAdvanced Photocatalysis Techniques