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

Autor(en)

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

Abstrakt

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.

Organisation(en)

Computergestützte Materialphysik

Externe Organisation(en)

Karl-Franzens-Universität Graz

Journal

The Journal of Physical Chemistry Letters

Band

3

Seiten

186-190

Anzahl der Seiten

5

DOI

https://doi.org/10.1021/jz201527z

Publikationsdatum

2012

Peer-reviewed

Ja

ÖFOS 2012

103020 Oberflächenphysik

Link zum Portal

https://ucrisportal.univie.ac.at/de/publications/2053d3a4-2699-4fd8-a8fd-6f3201e382b2