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Statements

Subject Item
n2:RIV%2F00216208%3A11320%2F10%3A10069897%21RIV13-AV0-11320___
rdf:type
n8:Vysledek skos:Concept
dcterms:description
We study theoretically hydrogen incorporated into several positions in the zirconia cubic and tetragonal lattices. These are positions in the interstitial space and in the zirconium vacancy (VZr). We examine the structure of such configurations and for VZr-related defects we also calculate selected positron characteristics in order to assess their capability of trapping positrons. It is shown that hydrogen atoms do not prefer to stay in the center of the largest interstitial space nor of VZr and they rather tend to create bonds with neighboring oxygen atoms. The positron lifetime of the VZr+1H complex is shorter than that for on-decorated VZr and positron trapping in VZr+1H complexes could, in principle, explain experimental lifetime data. We study theoretically hydrogen incorporated into several positions in the zirconia cubic and tetragonal lattices. These are positions in the interstitial space and in the zirconium vacancy (VZr). We examine the structure of such configurations and for VZr-related defects we also calculate selected positron characteristics in order to assess their capability of trapping positrons. It is shown that hydrogen atoms do not prefer to stay in the center of the largest interstitial space nor of VZr and they rather tend to create bonds with neighboring oxygen atoms. The positron lifetime of the VZr+1H complex is shorter than that for on-decorated VZr and positron trapping in VZr+1H complexes could, in principle, explain experimental lifetime data.
dcterms:title
Investigation of interaction of hydrogen with defects in zirconia (contrib. 1216-W07-10) Investigation of interaction of hydrogen with defects in zirconia (contrib. 1216-W07-10)
skos:prefLabel
Investigation of interaction of hydrogen with defects in zirconia (contrib. 1216-W07-10) Investigation of interaction of hydrogen with defects in zirconia (contrib. 1216-W07-10)
skos:notation
RIV/00216208:11320/10:10069897!RIV13-AV0-11320___
n3:aktivita
n11:Z n11:P
n3:aktivity
P(KJB101120906), P(OC 165), Z(MSM0021620834)
n3:dodaniDat
n18:2013
n3:domaciTvurceVysledku
n7:9949097 n7:5586992 n7:7701934 n7:7037945
n3:druhVysledku
n15:O
n3:duvernostUdaju
n13:S
n3:entitaPredkladatele
n14:predkladatel
n3:idSjednocenehoVysledku
264823
n3:idVysledku
RIV/00216208:11320/10:10069897
n3:jazykVysledku
n17:eng
n3:klicovaSlova
zirconia; defects; hydrogen
n3:klicoveSlovo
n6:hydrogen n6:defects n6:zirconia
n3:kontrolniKodProRIV
[DD6170E94FCB]
n3:obor
n16:BM
n3:pocetDomacichTvurcuVysledku
4
n3:pocetTvurcuVysledku
6
n3:projekt
n5:OC%20165 n5:KJB101120906
n3:rokUplatneniVysledku
n18:2010
n3:tvurceVysledku
Brauer, Gerhard Kuriplach, Jan Anwand, Wolfgang Čížek, Jakub Melikhova, Oksana Procházka, Ivan
n3:zamer
n4:MSM0021620834
n10:organizacniJednotka
11320