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| rdf:type
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| Description
| - Vrstvy Pd, Pt a Ni nanesené na řadě kovových povrchů vykazují vlastnosti podobné vzácným kovům. Uvažujeme otázku zda podobný trend je možný i pro vrstvy dalších přechodových kovů. Jsou provedeny výpočty z prvních principů metodou funkcionálu hustoty pro povrchy Pd(111), Rh(111), epitaxní monovrstvy Pd a Rh na Nb(110), a pro chemisorpci CO na těchto systémech. Výpočty ukazují že vlastnosti obou vrstev jsou zcela odlišné. Zatímco monovrstva Rh na Nb(110) připomíná povrch Rh(111), elektronová struktura vrstvy Pd blízko Fermiho meze je silně ovlivněna hybridizací s elektrony niobu, což způsobuje jedinečné vlastnosti vrstvy. Očekáváme, že tento mechanismus může být důležitý pro Pd, Pt, Ni a nikoliv pro jiné přechodové kovy s nižším počtem d-elektronů. (cs)
- Ni, Pd and Pt overlayers deposited on many metallic surfaces show properties resembling those of noble metals. We pose the question whether a similar trend might occur also for other transition-metal overlayers. To this goal, we perform first-principles density-functional theory calculations for Pd(111), Rh(111) surfaces, Pd and Rh epitaxial monolayers deposited on Nb(110), and for CO chemisorption on these systems. Density-functional calculations indicate that the behaviour of the two overlayers is quite different. Whereas the Rh overlayer on Nb(110) resembles the Rh(111) surface, for the Pd overlayer the electronic structure around the Fermi level is strongly affected by hybridization with Nb electrons, which accounts for the unique properties of the overlayer. We expect that the latter mechanism may be of importance for Pd, Pt, Ni and not for other transition metals with lower d-electron occupation.
- Ni, Pd and Pt overlayers deposited on many metallic surfaces show properties resembling those of noble metals. We pose the question whether a similar trend might occur also for other transition-metal overlayers. To this goal, we perform first-principles density-functional theory calculations for Pd(111), Rh(111) surfaces, Pd and Rh epitaxial monolayers deposited on Nb(110), and for CO chemisorption on these systems. Density-functional calculations indicate that the behaviour of the two overlayers is quite different. Whereas the Rh overlayer on Nb(110) resembles the Rh(111) surface, for the Pd overlayer the electronic structure around the Fermi level is strongly affected by hybridization with Nb electrons, which accounts for the unique properties of the overlayer. We expect that the latter mechanism may be of importance for Pd, Pt, Ni and not for other transition metals with lower d-electron occupation. (en)
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| Title
| - Tailoring the surface reactivity: Comparison of Pd/Nb(110) and Rh/Nb(110)
- Nastavení reaktivity povrchu: Srovnání Pd/Nb(110) a Rh/Nb(110) (cs)
- Tailoring the surface reactivity: Comparison of Pd/Nb(110) and Rh/Nb(110) (en)
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| skos:prefLabel
| - Tailoring the surface reactivity: Comparison of Pd/Nb(110) and Rh/Nb(110)
- Nastavení reaktivity povrchu: Srovnání Pd/Nb(110) a Rh/Nb(110) (cs)
- Tailoring the surface reactivity: Comparison of Pd/Nb(110) and Rh/Nb(110) (en)
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| skos:notation
| - RIV/61388955:_____/08:00312625!RIV09-AV0-61388955
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| http://linked.open...avai/riv/aktivita
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| http://linked.open...avai/riv/aktivity
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| http://linked.open...iv/cisloPeriodika
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| http://linked.open...vai/riv/dodaniDat
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| http://linked.open...aciTvurceVysledku
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| http://linked.open.../riv/druhVysledku
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| http://linked.open...iv/duvernostUdaju
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| http://linked.open...titaPredkladatele
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| http://linked.open...dnocenehoVysledku
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| http://linked.open...ai/riv/idVysledku
| - RIV/61388955:_____/08:00312625
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| http://linked.open...riv/jazykVysledku
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| http://linked.open.../riv/klicovaSlova
| - adsorption; density functional calculations; surface chemistry; niobium (en)
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| http://linked.open.../riv/klicoveSlovo
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| http://linked.open...odStatuVydavatele
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| http://linked.open...ontrolniKodProRIV
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| http://linked.open...i/riv/nazevZdroje
| - Collection of Czechoslovak Chemical Communications
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| http://linked.open...in/vavai/riv/obor
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| http://linked.open...ichTvurcuVysledku
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| http://linked.open...cetTvurcuVysledku
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| http://linked.open...UplatneniVysledku
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| http://linked.open...v/svazekPeriodika
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| http://linked.open...iv/tvurceVysledku
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| http://linked.open...ain/vavai/riv/wos
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| http://linked.open...n/vavai/riv/zamer
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| issn
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| number of pages
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