Deformed Surface Oxides: Uncommon Structure of a (6x1) NiO Surface Oxide on Rh(111)

Thomas Franz; Jan Zabloudil; Florian Mittendorfer; Luca Gragnaniello; Georg Parteder; Francesco Allegretti; Svetlozar L. Surnev; Falko P. Netzer

doi:10.1021/jz201527z

Deformed Surface Oxides: Uncommon Structure of a (6x1) NiO Surface Oxide on Rh(111)

Thomas Franz, Jan Zabloudil, Florian Mittendorfer (Corresponding author), Luca Gragnaniello, Georg Parteder, Francesco Allegretti, Svetlozar L. Surnev, Falko P. Netzer

Computational Materials Physics

Publications: Contribution to journal › Article › Peer Reviewed

Abstract

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 X 1) superstructure, with a formal Ni(5)O(5) 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 X 1) Ni(5)O(5) phase has a higher thermodynamic stability than the related octopolar NiO bulk terminations.

Original language	English
Pages (from-to)	186-190
Number of pages	5
Journal	The Journal of Physical Chemistry Letters
Volume	3
Issue number	2
DOIs	https://doi.org/10.1021/jz201527z
Publication status	Published - 2012

Austrian Fields of Science 2012

103020 Surface physics

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10.1021/jz201527z

Cite this

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abstract = "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 X 1) superstructure, with a formal Ni(5)O(5) 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 X 1) Ni(5)O(5) phase has a higher thermodynamic stability than the related octopolar NiO bulk terminations.",

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AU - Franz, Thomas

AU - Zabloudil, Jan

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AU - Gragnaniello, Luca

AU - Parteder, Georg

AU - Allegretti, Francesco

AU - Surnev, Svetlozar L.

AU - Netzer, Falko P.

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AB - 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 X 1) superstructure, with a formal Ni(5)O(5) 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 X 1) Ni(5)O(5) phase has a higher thermodynamic stability than the related octopolar NiO bulk terminations.

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