Monatomic Ti doped on defective monolayer boron nitride as an electrocatalyst for the synthesis of ammonia: A DFT study
Ying Wang, Yue Du, Yue Meng, Bo Xie, Zheming Ni, Shengjie Xia
Topics & Concepts
Materials scienceBoron nitrideElectrocatalystMonolayerCatalysisAmmonia productionGibbs free energyDopingChemical engineeringNitrideBoronAdsorptionDesorptionInorganic chemistryNanotechnologyPhysical chemistryElectrochemistryChemistryThermodynamicsOptoelectronicsOrganic chemistryElectrodeEngineeringLayer (electronics)PhysicsAmmonia Synthesis and Nitrogen ReductionAdvanced Photocatalysis TechniquesMXene and MAX Phase Materials