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Issue 18, 2002
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Evidence of surface reconstructions and incorporation of oxygen into the oxide framework on the hydroxylated La2O3{001} surface

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Abstract

By performing first-principles Molecular Dynamics simulations at 300 K, we show that water dissociates on the A–La2O3{001} surface giving rise to one exclusive type of hydroxyl-group, which is associated with a surface reconstruction, incorporating an additional oxygen ion into the oxide subsurface, yielding a surface structure that is oxygen rich.

Graphical abstract: Evidence of surface reconstructions and incorporation of oxygen into the oxide framework on the hydroxylated La2O3{001} surface

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Publication details

The article was received on 07 Jun 2002, accepted on 07 Aug 2002 and first published on 21 Aug 2002


Article type: Communication
DOI: 10.1039/B205528G
Citation: Chem. Commun., 2002,0, 2128-2129
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    Evidence of surface reconstructions and incorporation of oxygen into the oxide framework on the hydroxylated La2O3{001} surface

    M. Alfredsson, C. R. A. Catlow, A. Paulidou and R. M. Nix, Chem. Commun., 2002, 0, 2128
    DOI: 10.1039/B205528G

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