High-throughput screening of carbon nitride single-atom catalysts for nitrogen fixation based on machine learning
Lintao Xu, Yuhong Huang, Haiping Lin, Ruhai Du, Min Wang, Fei Ma, Xiumei Wei, Gangqiang Zhu, Jian‐Min Zhang
Abstract
Compared with the traditional electrocatalyst screening of the nitrogen reduction reaction (NRR), machine learning (ML) has achieved high-throughput screening with less computational cost.
Topics & Concepts
ThroughputCatalysisNitrideCarbon nitrideNitrogen fixationFixation (population genetics)Nitrogen atomHigh-throughput screeningCarbon fibersMaterials scienceAtom (system on chip)NitrogenNanotechnologyComputer scienceChemistryEmbedded systemComposite numberComposite materialPhotocatalysisOrganic chemistryOperating systemBiochemistryGeneLayer (electronics)Group (periodic table)WirelessAmmonia Synthesis and Nitrogen ReductionCatalytic Processes in Materials ScienceAdvanced Photocatalysis Techniques