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The electronic structure of oxygen vacancy defects at the low index surfaces of ceria

Surface Science · 2005 · Vol. 595(1-3) · pp. 223–232
Michael NolanStephen C. ParkerGraeme W. Watson
Catalytic Processes in Materials ScienceCopper-based nanomaterials and applicationsElectronic and Structural Properties of OxidesDensity functional theoryVacancy defectElectronic structureValence (chemistry)Chemical physicsOxygenBand gapMoleculeChemistryMaterials science

Funding

  • American Chemical Society Petroleum Research Fund
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797
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References
Band theory and Mott insulators: Hubbard<i>U</i>instead of Stoner<i>I</i>
Physical review. B, Condensed matter · 1991 · 7,233 citations
Projector augmented-wave method
Physical review. B, Condensed matter · 1994 · 88,353 citations
From ultrasoft pseudopotentials to the projector augmented-wave method
Physical review. B, Condensed matter · 1999 · 81,446 citations
Generalized Gradient Approximation Made Simple
Physical Review Letters · 1996 · 205,888 citations
Electron-energy-loss spectra and the structural stability of nickel oxide:  An LSDA+U study
Physical review. B, Condensed matter · 1998 · 14,431 citations
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