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Density functional theory study on the reaction mechanism of selective catalytic reduction of NO by NH3 over the γ-Fe2O3 (0 0 1) surface

Chaoyue Xie, Yunlan Sun, Baozhong Zhu, Minggao Xu, Hailong Yu, Enhai Liu

2020Computational and Theoretical Chemistry22 citationsDOI

Topics & Concepts

ChemistryDehydrogenationAdsorptionDensity functional theoryCatalysisNOxOxygenReaction mechanismMoleculePhotochemistryInorganic chemistryComputational chemistryPhysical chemistryOrganic chemistryCombustionCatalytic Processes in Materials ScienceCatalysis and Oxidation ReactionsIndustrial Gas Emission Control
Density functional theory study on the reaction mechanism of selective catalytic reduction of NO by NH3 over the γ-Fe2O3 (0 0 1) surface | Litcius