Structural and kinetic DFT characterization of materials to rationalize catalytic performance

Topics in Catalysis

Volumn 52, Issue 4, 2009, Pages 444-455

  Armata, N ^a   Baldissin, G ^a   Barone, G ^a   Cortese, R ^a   D'Anna, V ^a   Ferrante, F ^a   Giuffrida, S ^a   Li Manni, G ^a   Prestianni, A ^a   Rubino, T ^a   Duca, D ^a  

^a UNIVERSITY OF PALERMO   (Italy)

Author keywords

DFT methods; Heterogeneous catalysis; Reaction path modelling; Surface processes

Indexed keywords

CATALYTIC PERFORMANCE; CATALYTIC PROPERTIES; CATALYTIC SYSTEM; DFT METHOD; DIFFUSION PROPERTIES; HETEROGENEOUS CATALYSIS; HYDRO-ISOMERIZATION; MODEL REACTIONS; PALLADIUM CATALYST; PALLADIUM CLUSTERS; PD CLUSTERS; REACTION PATH MODELLING; SMALL CLUSTERS; STRUCTURAL INVESTIGATION; SURFACE PROCESSES;

ADSORPTION; BLOCK COPOLYMERS; CARBON NANOTUBES; CATALYSIS; CATALYSTS; DENSITY FUNCTIONAL THEORY; PALLADIUM; SILICATE MINERALS;

SURFACE REACTIONS;

EID: 63049112403     PISSN: 10225528     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11244-008-9176-y     Document Type: Article

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