A study leveraging first-principles calculations and machine learning to investigate the electrocatalytic nitrate reduction performance of single-atom supported on defective MXene (M = Cr, Mo, and W)
K. Jia, Wusi Luo, Wenjie Wang, Yuwen Cheng
Topics & Concepts
ChemistryCatalysisMXenesTransition metalElectron transferSelective catalytic reductionNitrateAmmoniaInorganic chemistryAmmonia productionAdsorptionLimitingMetalReaction mechanismRedoxHeterogeneous catalysisInner sphere electron transferChemical engineeringChemical stabilityOxygenNanotechnologyElectrochemistryElectrocatalystNoble metalAtom (system on chip)GrapheneAmmonia Synthesis and Nitrogen ReductionMXene and MAX Phase MaterialsAdvanced Photocatalysis Techniques