A systematic computational investigation of the water splitting and N<sub>2</sub> reduction reaction performances of monolayer MBenes
Yuwen Cheng, Jisheng Mo, Yongtao Li, Yumin Zhang, Yan Song
Abstract
of 0.11 V. Furthermore, the B site of TaB (TaB-B) was identified as the best NRR catalyst against HER among the studied MBenes considering the HER side reaction.
Topics & Concepts
MonolayerWater splittingReduction (mathematics)NitrogenChemistryOxygen reduction reactionMaterials scienceInorganic chemistryComputational chemistryNanotechnologyChemical engineeringPhysical chemistryCatalysisOrganic chemistryElectrochemistryMathematicsEngineeringElectrodePhotocatalysisGeometryAmmonia Synthesis and Nitrogen ReductionMXene and MAX Phase MaterialsAdvanced Photocatalysis Techniques