Surface Science · 2023 · 11 citations · 44 references
Natural SciencesMaterials EngineeringMaterials ScienceElectronic MaterialsMaterials ChemistrySurface ChemistryDopingSemiconductor SurfacesSurface AdsorptionSurface Chemistry Of SolidsSurface PhysicsTwo-dimensional SemiconductorsAdsorption EquilibriaAdsorption On SemiconductorsElectron Energy Distribution FunctionMonolayer AdsorptionMonolayer FilmsOxide Doping
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Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
Natural Sciences, Chemistry, Physics +16
First principles methods using CASTEP
Stewart J. Clark, Matthew Segall, Chris J. Pickard et al. · Zeitschrift für Kristallographie - Crystalline Materials · 2005 · 14.4K citations · Full text
Natural Sciences, Chemistry, Physics +17
Norm-Conserving Pseudopotentials
D. R. Hamann, M. Schlüter, Chun-Yueh Chiang · Physical Review Letters · 1979 · 4.4K citations
Natural Sciences, Chemistry, Physics +13