Probing the basicity of regular and defect sites of alkaline earth metal oxide surfaces by BF3 adsorption: A theoretical analysis

ChemPhysChem

Volumn 5, Issue 5, 2004, Pages 642-651

  Di Valentin, Cristiana ^a   Locati, Corrado ^a   Pacchioni, Gianfranco ^a  

^a UNIVERSITY OF MILANO BICOCCA   (Italy)

Author keywords

Adsorption; Alkaline earth elements; Basicity; Density functional calculations; Oxides

Indexed keywords

ADSORPTION; ALKALINE EARTH METALS; ALKALINITY; AMMONIA; BARIUM COMPOUNDS; BINDING ENERGY; DENSITY FUNCTIONAL THEORY; IONIZATION POTENTIAL; MAGNESIA; MOLECULES; OXIDES; PHOSPHORUS COMPOUNDS; PROBES; SODIUM CHLORIDE; STRONTIUM COMPOUNDS;

ADSORPTION PROPERTIES; ALKALINE EARTH METAL OXIDES; ALKALINE-EARTH ELEMENTS; ASYMMETRIC STRETCHING; DESORPTION TEMPERATURES; INTERACTION ENERGIES; LINEAR CORRELATION; VERTICAL IONIZATION POTENTIALS;

CORE LEVELS;

ALKALINE EARTH METAL; AMMONIA; ANION; BARIUM OXIDE; BORON; BORON TRIFLUORIDE; CALCIUM OXIDE; FLUORINE; MAGNESIUM OXIDE; METAL OXIDE; OXIDE; OXYGEN; PHOSPHINE; SODIUM CHLORIDE; STRONTIUM; STRONTIUM OXIDE; UNCLASSIFIED DRUG; WATER;

ADSORPTION; ALKALINITY; ARTICLE; CHEMICAL ANALYSIS; CHEMICAL BINDING; CHEMICAL BOND; CHEMICAL INTERACTION; CHEMICAL STRUCTURE; COMPLEX FORMATION; CORRELATION ANALYSIS; DENSITY FUNCTIONAL THEORY; DESORPTION; DISSOCIATION; ENERGY; IONIZATION; MOLECULAR PROBE; SURFACE PROPERTY; TEMPERATURE; THEORETICAL MODEL; VIBRATION;

EID: 2642552181     PISSN: 14394235     EISSN: None     Source Type: Journal    
DOI: 10.1002/cphc.200400006     Document Type: Article

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