Single-atom catalysts based on two-dimensional metalloporphyrin monolayers for electrochemical nitrate reduction to ammonia by first-principles calculations and interpretable machine learning
Zongpeng Ding, YuShan Pang, Aling Ma, Zhiyi Liu, Zhenzhen Wang, Guohong Fan, Hong Xu
Topics & Concepts
CatalysisElectrochemistryMonolayerReduction (mathematics)AmmoniaAmmonia productionChemistryAtom (system on chip)Selective catalytic reductionNitrateInorganic chemistryCombinatorial chemistryComputational chemistryPhysical chemistryComputer scienceOrganic chemistryMathematicsElectrodeEmbedded systemGeometryBiochemistryAmmonia Synthesis and Nitrogen ReductionAdvanced Photocatalysis TechniquesElectrocatalysts for Energy Conversion