Catalytic mechanism and selectivity prediction for syngas conversion over pure and K-promoted Mo2C catalysts
Yaru Dang, Shenggang Li
Topics & Concepts
SelectivityCatalysisSyngasChemistryYield (engineering)EthanolDensity functional theoryActivation energyCoupling (piping)PhotochemistryPhysical chemistryMaterials scienceComputational chemistryOrganic chemistryMetallurgyCatalysts for Methane ReformingCatalysis and Hydrodesulfurization StudiesCatalytic Processes in Materials Science