Unveiling “Sabatier principle” for electrocatalytic nitric oxide reduction on single cluster catalysts: A DFT and machine learning guideline
Lei Yang, Jiake Fan, Beibei Xiao, Weihua Zhu
Topics & Concepts
CatalysisChemistrySelective catalytic reductionCluster (spacecraft)Combinatorial chemistryComputational chemistryNanotechnologyComputer scienceMaterials scienceOrganic chemistryProgramming languageAmmonia Synthesis and Nitrogen ReductionAdvanced Photocatalysis TechniquesElectrocatalysts for Energy Conversion