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Statements

Subject Item
n2:RIV%2F68378271%3A_____%2F12%3A00390819%21RIV13-AV0-68378271
rdf:type
skos:Concept n12:Vysledek
dcterms: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.
dcterms: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
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
skos:notation
RIV/68378271:_____/12:00390819!RIV13-AV0-68378271
n12:predkladatel
n13:ico%3A68378271
n3:aktivita
n15:Z n15:P
n3:aktivity
P(MEB040921), Z(AV0Z10100521)
n3:cisloPeriodika
10
n3:dodaniDat
n5:2013
n3:domaciTvurceVysledku
Majzik, Zsolt n8:8020973 n8:4085035
n3:druhVysledku
n17:J
n3:duvernostUdaju
n10:S
n3:entitaPredkladatele
n20:predkladatel
n3:idSjednocenehoVysledku
174210
n3:idVysledku
RIV/68378271:_____/12:00390819
n3:jazykVysledku
n19:eng
n3:klicovaSlova
density functional theory; rhodium; oxide surface; scanning tunneling spectroscopy
n3:klicoveSlovo
n6:scanning%20tunneling%20spectroscopy n6:rhodium n6:oxide%20surface n6:density%20functional%20theory
n3:kodStatuVydavatele
NL - Nizozemsko
n3:kontrolniKodProRIV
[DE1AF7348C6A]
n3:nazevZdroje
Applied Surface Science
n3:obor
n18:BM
n3:pocetDomacichTvurcuVysledku
3
n3:pocetTvurcuVysledku
5
n3:projekt
n14:MEB040921
n3:rokUplatneniVysledku
n5:2012
n3:svazekPeriodika
258
n3:tvurceVysledku
Mutombo, Pingo Majzik, Zsolt Balázs, N. Berkó, A. Cháb, Vladimír
n3:wos
000300991400042
n3:zamer
n16:AV0Z10100521
s:issn
0169-4332
s:numberOfPages
5
n11:doi
10.1016/j.apsusc.2012.01.011