DFT investigation of intermediate steps in the hydrolysis of r-Al 2O 3(0001)

Journal of Physical Chemistry C

Volumn 113, Issue 6, 2009, Pages 2149-2158

  Ranea, Víctor A ^a,b,c   Carmichael, Ian ^a,d   Schneider, William F ^b,d  

^a UNIVERSITY OF NOTRE DAME   (United States)

^b University of Notre Dame   (United States)

^c UNIVERSIDAD NACIONAL DE LA PLATA   (Argentina)

^d UNIVERSITY OF NOTRE DAME   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION BARRIERS; CO-ORDINATIVELY UNSATURATED; COMPLEX REACTIONS; FORMATION ENERGIES; GIBBSITE; HYDROXYLATED SURFACES; PARTICULAR CONDITIONS; PLANE WAVES; PRESENCE OF WATERS; SUPER CELLS; SURFACE COMPOSITIONS; SURFACE HYDROXYLS; WATER DISSOCIATIONS; WATER MOLECULES;

ACTIVATION ENERGY; ALUMINUM; DENSITY FUNCTIONAL THEORY; DISSOCIATION; OZONE WATER TREATMENT; SURFACE CHEMISTRY;

HYDROXYLATION;

EID: 65449133227     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp8069892     Document Type: Article

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