Systematic DFT studies of CO-Tolerance and CO oxidation on Cu-doped Ni surfaces

Mahmoud A. Hefnawy, Sahar A. Fadlallah, Rabab M. El‐Sherif, Shymaa S. Medany

2022Journal of Molecular Graphics and Modelling31 citationsDOI

Topics & Concepts

AdsorptionNickelDensity functional theoryDopingCatalysisActivation energyMaterials scienceInorganic chemistryChemistryPhysical chemistryComputational chemistryMetallurgyOrganic chemistryOptoelectronicsCatalytic Processes in Materials ScienceElectrocatalysts for Energy ConversionCO2 Reduction Techniques and Catalysts