Theoretical investigation on H2 oxidation mechanisms over pristine and Sm-doped CeO2(1 1 1) surfaces
Houyu Zhu, Yongchun Hou, Hao Ren, Dongyuan Liu, Xin Li, Lianming Zhao, Yuhua Chi, Wenyue Guo
Topics & Concepts
Density functional theoryDopingDissociation (chemistry)van der Waals forceCatalysisSamariumOxideMaterials scienceAnodeTransition metalCovalent bondHydrogenAdsorptionInorganic chemistryChemistryPhysical chemistryChemical engineeringComputational chemistryMoleculeElectrodeOrganic chemistryOptoelectronicsMetallurgyEngineeringCatalytic Processes in Materials ScienceAdvancements in Solid Oxide Fuel CellsElectronic and Structural Properties of Oxides