2D anti-MXene boride monolayers: unveiling a promising new family of catalysts for the nitrogen reduction reaction
Viet Q. Bui, Đinh Quang Khiếu
Abstract
Through a comprehensive DFT study, this work investigates the dynamic, mechanical, and thermal stabilities of anti-MXene borides, highlighting FeB and OsB as highly efficient NRR electrocatalysts with low overpotentials and superior selectivity.
Topics & Concepts
MonolayerBorideCatalysisNitrogenReduction (mathematics)Oxygen reduction reactionMaterials scienceChemical engineeringChemistryNanotechnologyMetallurgyOrganic chemistryPhysical chemistryEngineeringMathematicsElectrochemistryGeometryElectrodeMXene and MAX Phase MaterialsAmmonia Synthesis and Nitrogen ReductionAdvanced Photocatalysis Techniques