Theoretical insights on C-N coupling mechanism and guidance for screening the catalysts of electrocatalytic urea synthesis by descriptors
Meng Zheng, Haiqing Ma, Zhiming Li, Hongan Yu, Long Nie, Chenliang Ye, Xiaoyu Chen, Jin Wang
Topics & Concepts
CatalysisAdsorptionUreaChemistryMechanism (biology)Density functional theoryHydrogenCoupling (piping)Inorganic chemistryChemical engineeringMaterials scienceComputational chemistryPhysical chemistryOrganic chemistryMetallurgyEpistemologyPhilosophyEngineeringAmmonia Synthesis and Nitrogen ReductionCO2 Reduction Techniques and CatalystsAdvanced Photocatalysis Techniques