Deformed Surface Oxides: Uncommon Structure of a (6 × 1) NiO Surface Oxide on Rh(111)

We have investigated the formation of a nickel oxide monolayer on Rh(111) by scanning tunneling microscopy (STM), high-resolution electron energy loss spectroscopy (HREELS), and density functional theory (DFT) calculations. This monolayer displays a corrugated (6 × 1) superstructure, with a formal N...

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Bibliographic Details
Published in:The journal of physical chemistry letters 2012-01, Vol.3 (2), p.186-190
Main Authors: Franz, T, Zabloudil, J, Mittendorfer, F, Gragnaniello, L, Parteder, G, Allegretti, F, Surnev, S, Netzer, F.P
Format: Article
Language:English
Subjects:
Surfaces, Interfaces, Catalysis
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Summary:We have investigated the formation of a nickel oxide monolayer on Rh(111) by scanning tunneling microscopy (STM), high-resolution electron energy loss spectroscopy (HREELS), and density functional theory (DFT) calculations. This monolayer displays a corrugated (6 × 1) superstructure, with a formal Ni5O5 stoichiometry. The interplay between polarity and interface energy leads to the formation of a structure with pronounced troughs, which may be regarded as a building deformation, containing building blocks derived from nonpolar (100) and polar (111) NiO surface terminations. The calculations also show that the (6 × 1) Ni5O5 phase has a higher thermodynamic stability than the related octopolar NiO bulk terminations.
ISSN:1948-7185
1948-7185
DOI:10.1021/jz201527z