Understanding the role of Ga on the activation mechanism of CO2 over modified Cu surface by DFT calculation
Guohua Sang, Jingyu Ran, Xin Huang, Zhiliang Ou, Lei Tang
Topics & Concepts
CatalysisAdsorptionActivation energyOxideChemistryMetalMoleculeDensity functional theoryOxygenActivation barrierKineticsChemical physicsCharge densityPhysical chemistryChemical engineeringComputational chemistryOrganic chemistryQuantum mechanicsEngineeringPhysicsCatalytic Processes in Materials ScienceCatalysts for Methane ReformingCO2 Reduction Techniques and Catalysts