Theoretical study of the adsorption of rhodium on a TiO2 (1 1 0)-1 1 surface

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F12%3A00390819" target="_blank" >RIV/68378271:_____/12:00390819 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1016/j.apsusc.2012.01.011" target="_blank" >http://dx.doi.org/10.1016/j.apsusc.2012.01.011</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.apsusc.2012.01.011" target="_blank" >10.1016/j.apsusc.2012.01.011</a>

Result language
angličtina
Original language name
Theoretical study of the adsorption of rhodium on a TiO2 (1 1 0)-1 1 surface
Original language description
Density functional theory (DFT) calculations were used to study the adsorption of rhodium on a TiO2 (1 1 0)-1 1 surface as a function of coverage. It was found that Rh atom prefers the hollow site between a bridging oxygen atom, a threefold oxygen atom and a fivefold coordinated Ti atom, regardless of the coverage used. DFT calculations also suggest that Rh?Rh interaction is attractive along the [0 0 1] direction, implying that the Rh 1D nanostructure should grow preferentially along this direction. Simulated Rh dimer clusters resemble strongly Pd dimers resolved in STM experiments suggesting that both metals occupy the same adsorption site at the TiO2 (1 1 0) surface.
Czech name
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Czech description
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Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
BM - Solid-state physics and magnetism
OECD FORD branch
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Project
<a href="/en/project/MEB040921" target="_blank" >MEB040921: Scanning Tunneling Microscopy and Synchrotron Light Induced Photoelectron Spectroscopy of Oxide-Metal Interfaces</a><br>
Continuities
Z - Vyzkumny zamer (s odkazem do CEZ)

Publication year
2012
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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