Superior indicative and regulative function of Fe doping amount for MnO2 catalyst with an oxygen vacancy in NH3-SCR reaction: A DFT + U study
Bowen Tian, Shenggui Ma, Jundong Guo, Yi‐Fan Zhao, Tao Gao, Xia Jiang
Topics & Concepts
CatalysisDopingAdsorptionOxygenDensity functional theoryLewis acids and basesVacancy defectRedoxInorganic chemistryChemistryActivation energyMoleculeMaterials sciencePhysical chemistryComputational chemistryOrganic chemistryCrystallographyOptoelectronicsCatalytic Processes in Materials ScienceNanomaterials for catalytic reactionsCatalysis and Oxidation Reactions