Electronic properties and reactivity of simulated Fe 3+ and Cr 3+ substituted α-Al 2O 3 (0001) surface

Journal of Physical Chemistry C

Volumn 116, Issue 35, 2012, Pages 18847-18856

  Baltrusaitis, Jonas ^a,d   Hatch, Courtney ^b   Orlando, Roberto ^c  

^a UNIVERSITY OF IOWA   (United States)

^b HENDRIX COLLEGE   (United States)

^c UNIVERSITY OF TURIN   (Italy)

^d UNIVERSITY OF TWENTE   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

ATMOSPHERIC MINERALS; ATOMIC BASIS SET; CO ADSORPTION; DOPING EFFECTS; GAS MOLECULES; METAL OXIDES; OUTER LAYER; PERIODIC DENSITY FUNCTIONAL THEORY; PHOTOCHEMICAL PROCESS; SURFACE LAYERS; THEORETICAL RESULT; TRANSITION METAL IMPURITIES;

ADSORPTION; ALUMINUM; CARBON MONOXIDE; CHROMIUM; CORUNDUM; DENSITY FUNCTIONAL THEORY; DOPING (ADDITIVES); IMPURITIES; METALLIC COMPOUNDS; MINERALS; TRANSITION METALS;

ELECTRONIC PROPERTIES;

EID: 84865998879     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp3053899     Document Type: Article

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