First-principles investigations of Ni3Al(111) and NiAl(110) surfaces at metal dusting conditions

Surface Science

Volumn 605, Issue 5-6, 2011, Pages 582-592

  Saadi, Souheil ^a,b   Hinnemann, Berit ^b   Appel, Charlotte C ^b   Helveg, Stig ^b   Abild Pedersen, Frank ^a,c   Nørskov, Jens K ^a,c,d  

^a TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

^b HALDOR TOPSØE A S   (Denmark)

^c SLAC NATIONAL ACCELERATOR LABORATORY   (United States)

^d Stanford University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALLOY SURFACES; CATALYTIC STEAM REFORMING; FIRST-PRINCIPLES INVESTIGATIONS; METAL DUSTING; METAL DUSTING CORROSION; NICKEL-ALUMINUM ALLOY; OXIDE SCALE; REACTIVE GAS; STEAM-TO-CARBON RATIO; SURFACE COMPOSITIONS; SURFACE PHASIS; THERMOCHEMICAL CALCULATIONS;

ADSORPTION; ALUMINUM; ALUMINUM ALLOYS; ALUMINUM COATINGS; CATALYTIC REFORMING; DENSITY FUNCTIONAL THEORY; NICKEL ALLOYS; NICKEL COATINGS; PHASE DIAGRAMS; PROTECTIVE COATINGS; SCALE (DEPOSITS); STEAM ENGINEERING; SURFACE STRUCTURE;

STEAM REFORMING;

EID: 79751526044     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2010.12.023     Document Type: Article

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