Computational screening of transition metal atom doped C3N as electrocatalysts for nitrogen fixation
Wei Song, Chensi Li, Pengfei Ma, Xiao Liu, Yongliang Guo, Meng Jia, Wei Zhang, Chaozheng He
Topics & Concepts
CatalysisTransition metalNitrogenDensity functional theoryChemistryMetalHydrogenRedoxAtom (system on chip)DopingInorganic chemistryCombinatorial chemistryChemical engineeringMaterials scienceNanotechnologyComputational chemistryComputer scienceOrganic chemistryEngineeringOptoelectronicsEmbedded systemAmmonia Synthesis and Nitrogen ReductionElectrocatalysts for Energy ConversionAdvanced Photocatalysis Techniques