AI Article Synopsis
- Scanning tunneling microscopy (STM) and density functional theory (DFT) were used to study step edges on CeO(2)(111) films on Ru(0001), revealing how preparation conditions affect step orientations and ad-island shapes.
- STM conductance spectroscopy showed significant differences in electronic properties at step edges, linked to changes in ceria’s conduction band and the formation of distinct electronic states.
- The formation of electrostatic dipoles due to atom-coordination and local charge-distribution at the edges suggests that these morphologies influence both electronic properties and the adsorption behavior of molecules on the surface.
Article Abstract
Scanning tunneling microscopy (STM) combined with density functional theory (DFT) are used to analyze the structural and electronic properties of step edges on the surface of CeO(2)(111) films grown on Ru(0001). Depending on the preparation conditions, 211 or 110-oriented steps develop on the surface, which results in the formation of ceria ad-islands with hexagonal or triangular shapes. STM conductance spectroscopy reveals pronounced differences in the electronic properties of the step edges, as reflected in different onset positions of the ceria conduction band. The band shifts are related to the development of distinct edge electronic states that split-off from the ceria conduction band, as shown with DFT calculations. The separation of the edge states from the main band is governed by the atom-coordination and local charge-distribution along the edge, the latter giving rise to the development of electrostatic dipoles. We expect that the observed edge morphologies determine not only the electronic properties but also the adsorption behavior of step edges on the CeO(2)(111) surface.
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| http://dx.doi.org/10.1021/nn2036472 | DOI Listing |
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