Role of surface hydroxyl groups on zinc adsorption characteristics on α-Al2O3(0001) surfaces: First-principles study

Journal of Physical Chemistry C

Volumn 118, Issue 25, 2014, Pages 13578-13589

  Cavallotti, Rémi ^a,b,c   Goniakowski, Jacek ^a,b   Lazzari, Rémi ^a,b   Jupille, Jacques ^a,b   Koltsov, Alexey ^c   Loison, Didier ^c  

^a INSTITUT DES NANOSCIENCES DE PARIS   (France)

^b SORBONNE UNIVERSITÉ   (France)

^c ARCELORMITTAL   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ADATOMS; ALUMINA; ALUMINUM COATED STEEL; ALUMINUM COATINGS; ALUMINUM OXIDE; CALCULATIONS; CORROSION RESISTANT COATINGS; HIGH STRENGTH STEEL; OXYGEN; SURFACE SEGREGATION; ZINC COATINGS;

AB INITIO TOTAL ENERGY; ALUMINA SUBSTRATES; FIRST-PRINCIPLES STUDY; OXYGEN-RICH CONDITIONS; STEEL-MAKING INDUSTRIES; SURFACE CONFIGURATION; SURFACE HYDROXYL GROUPS; THERMODYNAMIC CONDITIONS;

WETTING;

EID: 84908215843     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp501318p     Document Type: Article

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