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Electroreduction of nitrate to ammonia on graphyne-based single-atom catalysts by combined density functional theory and machine learning study

Yushan Pang, Zongpeng Ding, Aling Ma, Guohong Fan, Hong Xu

2024Separation and Purification Technology24 citationsDOI

Topics & Concepts

GraphyneCatalysisDensity functional theoryNitrateAmmoniaAtom (system on chip)ChemistryComputational chemistryCombinatorial chemistryInorganic chemistryComputer scienceOrganic chemistryEmbedded systemAmmonia Synthesis and Nitrogen ReductionCaching and Content DeliveryHydrogen Storage and Materials
Electroreduction of nitrate to ammonia on graphyne-based single-atom catalysts by combined density functional theory and machine learning study | Litcius