About: The Pd(100)-(SQRT(5)xSQRT(5))R27-O surface oxide: a LEED, DFT and STM study

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Description	Pd(100)-(ODMOCNINA(5)xODMOCNINA(5))R27-O povrchový oxid: studium pomocí LEED, DFT a STM (cs) Using low energy electron diffraction (LEED), density functional theory (DFT) and scanning tunneling microscopy (STM), we have re-analyzed the Pd(100)-(SQRT(5)xSQRT(5))R27-O surface oxide structure consisting, in the most recent model, of a strained PdO(101) layer on top of the Pd(100) surface [M. Todorova et al., Surf. Sci. 541 (2003) 101]. Both, DFT simulations using the Vienna Ab initio Simulation Package (VASP) and tensor LEED I(V) analysis of newly acquired LEED experimental data, show that the PdO(101) model is essentially correct. However, compared to the previous study, there is a horizontal shift of the PdO(101) layer with respect to the Pd(100) substrate. The atomic coordinates derived by DFT and LEED (RP = 0.162) are in excellent agreement with each other. We also present STM images with atomic resolution showing domain boundaries on the surface oxide and discuss the bonding geometry between the surface oxide and the substrate. Using low energy electron diffraction (LEED), density functional theory (DFT) and scanning tunneling microscopy (STM), we have re-analyzed the Pd(100)-(SQRT(5)xSQRT(5))R27-O surface oxide structure consisting, in the most recent model, of a strained PdO(101) layer on top of the Pd(100) surface [M. Todorova et al., Surf. Sci. 541 (2003) 101]. Both, DFT simulations using the Vienna Ab initio Simulation Package (VASP) and tensor LEED I(V) analysis of newly acquired LEED experimental data, show that the PdO(101) model is essentially correct. However, compared to the previous study, there is a horizontal shift of the PdO(101) layer with respect to the Pd(100) substrate. The atomic coordinates derived by DFT and LEED (RP = 0.162) are in excellent agreement with each other. We also present STM images with atomic resolution showing domain boundaries on the surface oxide and discuss the bonding geometry between the surface oxide and the substrate. (en)
Title	The Pd(100)-(SQRT(5)xSQRT(5))R27-O surface oxide: a LEED, DFT and STM study The Pd(100)-(SQRT(5)xSQRT(5))R27-O surface oxide: a LEED, DFT and STM study (en) Pd(100)-(ODMOCNINA(5)xODMOCNINA(5))R27-O povrchový oxid: studium pomocí LEED, DFT a STM (cs)
skos:prefLabel	The Pd(100)-(SQRT(5)xSQRT(5))R27-O surface oxide: a LEED, DFT and STM study The Pd(100)-(SQRT(5)xSQRT(5))R27-O surface oxide: a LEED, DFT and STM study (en) Pd(100)-(ODMOCNINA(5)xODMOCNINA(5))R27-O povrchový oxid: studium pomocí LEED, DFT a STM (cs)
skos:notation	RIV/00216305:26210/07:PU67007!RIV07-MSM-26210___
http://linked.open.../vavai/riv/strany	1574-1581
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(LC06040), Z(MSM0021630508)
http://linked.open...iv/cisloPeriodika	6
http://linked.open...vai/riv/dodaniDat	2007
http://linked.open...aciTvurceVysledku	Kostelník, Petr Šikola, Tomáš
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	Vysoké učení technické v Brně / Fakulta strojního inženýrství
http://linked.open...dnocenehoVysledku	440864
http://linked.open...ai/riv/idVysledku	RIV/00216305:26210/07:PU67007
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	Palladium, Oxidation, Low energy electron diffraction (LEED), Density functional calculations, Scanning tunneling microscopy, Low index single crystal surfaces, Surface structure (en)
http://linked.open.../riv/klicoveSlovo	Scanning tunneling microscopy Density functional calculations Oxidation Palladium Surface structure Low index single crystal surfaces Low energy electron diffraction (LEED)
http://linked.open...odStatuVydavatele	NL - Nizozemsko
http://linked.open...ontrolniKodProRIV	[679DCC3ABA36]
http://linked.open...i/riv/nazevZdroje	Surface Science
http://linked.open...in/vavai/riv/obor	BM
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	9 (xsd:int)
http://linked.open...vavai/riv/projekt	Structures for Nanophotonics and Nanoelectronics
http://linked.open...UplatneniVysledku	2007
http://linked.open...v/svazekPeriodika	601
http://linked.open...iv/tvurceVysledku	Kostelník, Petr Šikola, Tomáš Schmid, Michael Varga, P. Kresse, G. Lundgren, E. Blum, Volker Mikkelsen, Anders Seriani, Nicola
http://linked.open...n/vavai/riv/zamer	Anorganické nanomateriály a nanostruktury: vytváření, analýza, vlastnosti
issn	0039-6028
number of pages	8 (xsd:int)
http://localhost/t...ganizacniJednotka	26210
is http://linked.open...avai/riv/vysledek of	The Pd(100)-(SQRT(5)xSQRT(5))R27-O surface oxide: a LEED, DFT and STM study The Pd(100)-(SQRT(5)xSQRT(5))R27-O surface oxide: a LEED, DFT and STM study The Pd(100)-(SQRT(5)xSQRT(5))R27-O surface oxide: a LEED, DFT and STM study

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