Berlin 2015 – scientific programme

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O: Fachverband Oberflächenphysik

O 14: Oxide Surfaces: Adsorption and Reactivity

O 14.4: Talk

Monday, March 16, 2015, 15:45–16:00, MA 042

High chemical activity of a perovskite surface: adsorption of CO and H2O on Sr3Ru2O7 — •Florian Mittendorfer, Bernhard Stöger, Daniel Halwidl, Wernfried Mayr-Schmölzer, Josef Redinger, Michael Schmid, and Ulrike Diebold — Institut f. Angewandte Physik, TU Wien

In the recent years, complex transition metal oxide surfaces have received enormous attention, both due to the fundamental properties as well as their potential for applications in the field of energy storage and conversion. Yet only little is known about the chemistry of these materials. On the basis of density functional theory (DFT) calculations, I will present a theoretical study on the surface chemistry of Sr3Ru2O7, supported by experimental STM measurements. Surprisingly, the STM study shows a high chemical activity of the Sr3Ru2O7 surface [1]. We conclude that these observations are related to the facile adsorption of carbon monoxide (CO), which can easily be converted to a carboxylate-like COO species at the surface. With an adsorption energy of -2.2 eV, the latter structure shows a high chemical stability. We also find that H2O can be readily adsorbed at the surface, resulting in the dissociation of the water molecule. Yet the fragments display an attractive interaction, leading to complex adsorption patterns.

[1] B. Stoeger et al., Phys. Rev. Lett. 113 (2014) 116101