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Volumn 112, Issue 14, 2014, Pages

Mechanism for limiting thickness of thin oxide films on aluminum

Author keywords

[No Author keywords available]

Indexed keywords

ALUMINA; ALUMINUM; CALCULATIONS; CONTINUUM MECHANICS; FILM GROWTH; FILM THICKNESS; GAS ADSORPTION; INTERFACES (MATERIALS); METAL IONS; METALLIC COMPOUNDS; OXYGEN;

EID: 84898440235     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.112.146103     Document Type: Article
Times cited : (80)

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    • See Supplemental Material (SM) at for details of the considered systems, which includes Refs. [31-40]. Adsorption of (Equation presented) on (Equation presented) films supported on Al(111) were performed for four ((Equation presented)) and eight ((Equation presented)) layers of (Equation presented). The corresponding adsorption energies are 1.60 and 0.82 eV, respectively. Thus, very close to the (Equation presented) values. Calculations with a defect containing film (see SM) were performed with one (Equation presented) molecule adsorbed on a four layer (Equation presented) on Al(111). The adsorption energy was calculated to be 1.38, 1.30, and 1.83 eV for one Al defect at the interface, one O removed from the oxide, and two O removed from the oxide, respectively. The adsorption energy of (Equation presented) on this system without defects is 1.80 eV.
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