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Interplay between Gd and oxygen vacancy on the electronic properties and defect chemistry of Gd-doped CeO2: A DFT + U study

Xiaoping Han, Noureddine Amrane, Zongsheng Zhang, Maamar Benkraouda

2020Chemical Physics24 citationsDOI

Topics & Concepts

ChemistryVacancy defectDopantDopingDensity functional theoryAcceptorOxygenElectronic structureCrystallographyComputational chemistryChemical physicsCondensed matter physicsOrganic chemistryPhysicsCatalytic Processes in Materials ScienceAdvancements in Solid Oxide Fuel CellsNuclear Materials and Properties
Interplay between Gd and oxygen vacancy on the electronic properties and defect chemistry of Gd-doped CeO2: A DFT + U study | Litcius