Electronic and energy characteristics of surface centers on modified aluminosilicates containing incompletely coordinated aluminium atoms

The electronic and energy characteristics of electroneutral and charged defects on an Al/SiO/sub 2/ surface containing incompletely coordinated Al atoms have been studied in the framework of the model of orbitally stoichiometric clusters and the non-empirical PRDDO calculation scheme. The influence...

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Veröffentlicht in:	J. Struct. Chem. (Engl. Transl.); (United States) 1985-11, Vol.26 (6), p.839-842
Hauptverfasser:	Litinskii, A. O., Zyubin, A. S., Khaikina, E. A., Lazauskas, V. M.
Format:	Artikel
Sprache:	eng
Schlagworte:	360602 - Other Materials- Structure & Phase Studies 360603 - Materials- Properties 400201 - Chemical & Physicochemical Properties 640302 - Atomic, Molecular & Chemical Physics- Atomic & Molecular Properties & Theory ALUMINIUM ALUMINIUM COMPOUNDS ALUMINIUM SILICATES ANGULAR MOMENTUM ATOMIC AND MOLECULAR PHYSICS ATOMIC MODELS BINDING ENERGY CATALYSTS CATALYTIC EFFECTS CHARGE DISTRIBUTION CHEMICAL BONDS CRYSTAL DEFECTS CRYSTAL STRUCTURE DEACTIVATION EFFECTIVE CHARGE ELECTRON DENSITY ELECTRON TRANSFER ELECTRONEGATIVITY ELECTRONIC STRUCTURE ELECTRONS ELEMENTARY PARTICLES ELEMENTS ENERGY FERMIONS FLUORIDES FLUORINE COMPOUNDS HALIDES HALOGEN COMPOUNDS HYBRIDIZATION HYDROGEN HYDROGEN COMPOUNDS HYDROXIDES INORGANIC ACIDS INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY LEPTONS LEWIS ACIDS MATERIALS SCIENCE MATHEMATICAL MODELS METALS NONMETALS OXYGEN COMPOUNDS PARTICLE PROPERTIES SEMIMETALS SILICATES SILICON SILICON COMPOUNDS SPIN STOICHIOMETRY VALENCE
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