Performance improvement of χ3 borophene in nitrogen fixation using single–atom anchoring: A first–principles study
Xuxin Kang, Zhaoqin Chu, Xiangmei Duan
Topics & Concepts
CatalysisNitrogenDensity functional theoryElectrochemistryNitrogen fixationSubstrate (aquarium)Transition metalMaterials scienceHydrogenChemistryChemical engineeringNanotechnologyComputational chemistryPhysical chemistryElectrodeOrganic chemistryOceanographyGeologyEngineeringAmmonia Synthesis and Nitrogen ReductionHydrogen Storage and MaterialsCatalytic Processes in Materials Science