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

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
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. 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. (en)
Title	Theoretical study of the adsorption of rhodium on a TiO2 (1 1 0)-1 1 surface Theoretical study of the adsorption of rhodium on a TiO2 (1 1 0)-1 1 surface (en)
skos:prefLabel	Theoretical study of the adsorption of rhodium on a TiO2 (1 1 0)-1 1 surface Theoretical study of the adsorption of rhodium on a TiO2 (1 1 0)-1 1 surface (en)
skos:notation	RIV/68378271:_____/12:00390819!RIV13-AV0-68378271
http://linked.open...avai/predkladatel	Fyzikální ústav AV ČR, v.v.i.
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(MEB040921), Z(AV0Z10100521)
http://linked.open...iv/cisloPeriodika	10
http://linked.open...vai/riv/dodaniDat	2013
http://linked.open...aciTvurceVysledku	Cháb, Vladimír Mutombo, Pingo Majzik, Zsolt
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Fyzikální ústav AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	174210
http://linked.open...ai/riv/idVysledku	RIV/68378271:_____/12:00390819
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	density functional theory; rhodium; oxide surface; scanning tunneling spectroscopy (en)
http://linked.open.../riv/klicoveSlovo	oxide surface rhodium density functional theory scanning tunneling spectroscopy
http://linked.open...odStatuVydavatele	NL - Nizozemsko
http://linked.open...ontrolniKodProRIV	[DE1AF7348C6A]
http://linked.open...i/riv/nazevZdroje	Applied Surface Science
http://linked.open...in/vavai/riv/obor	BM
http://linked.open...ichTvurcuVysledku	3 (xsd:int)
http://linked.open...cetTvurcuVysledku	5 (xsd:int)
http://linked.open...vavai/riv/projekt	Scanning Tunneling Microscopy and Synchrotron Light Induced Photoelectron Spectroscopy of Oxide-Metal Interfaces
http://linked.open...UplatneniVysledku	2012
http://linked.open...v/svazekPeriodika	258
http://linked.open...iv/tvurceVysledku	Berkó, A. Cháb, Vladimír Majzik, Zsolt Mutombo, Pingo Balázs, N.
http://linked.open...ain/vavai/riv/wos	000300991400042
http://linked.open...n/vavai/riv/zamer	Physics and technology of nanostructures, surfaces and thin films
issn	0169-4332
number of pages	5 (xsd:int)
http://bibframe.org/vocab/doi	10.1016/j.apsusc.2012.01.011
is http://linked.open...avai/riv/vysledek of	Theoretical study of the adsorption of rhodium on a TiO2 (1 1 0)-1 1 surface

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