This HTML5 document contains 49 embedded RDF statements represented using HTML+Microdata notation.

The embedded RDF content will be recognized by any processor of HTML5 Microdata.

Namespace Prefixes

PrefixIRI
dctermshttp://purl.org/dc/terms/
n17http://localhost/temp/predkladatel/
n8http://linked.opendata.cz/resource/domain/vavai/riv/tvurce/
n18http://linked.opendata.cz/ontology/domain/vavai/
n13http://linked.opendata.cz/resource/domain/vavai/zamer/
n11http://linked.opendata.cz/resource/domain/vavai/vysledek/RIV%2F00216224%3A14310%2F02%3A00006522%21RIV08-MSM-14310___/
shttp://schema.org/
skoshttp://www.w3.org/2004/02/skos/core#
n3http://linked.opendata.cz/ontology/domain/vavai/riv/
n2http://linked.opendata.cz/resource/domain/vavai/vysledek/
rdfhttp://www.w3.org/1999/02/22-rdf-syntax-ns#
n6http://linked.opendata.cz/ontology/domain/vavai/riv/klicoveSlovo/
n15http://linked.opendata.cz/ontology/domain/vavai/riv/duvernostUdaju/
xsdhhttp://www.w3.org/2001/XMLSchema#
n16http://linked.opendata.cz/ontology/domain/vavai/riv/aktivita/
n7http://linked.opendata.cz/ontology/domain/vavai/riv/jazykVysledku/
n14http://linked.opendata.cz/ontology/domain/vavai/riv/obor/
n10http://linked.opendata.cz/ontology/domain/vavai/riv/druhVysledku/
n9http://reference.data.gov.uk/id/gregorian-year/

Statements

Subject Item
n2:RIV%2F00216224%3A14310%2F02%3A00006522%21RIV08-MSM-14310___
rdf:type
skos:Concept n18:Vysledek
dcterms:description
Recently, a molecular Aul(3) complex was stabilized in the interlayer space of the Bi2Sr2CaCu2Oy (Bi2212) high-T-c superconducting phase, adopting an exceptional D-3h structure (Choy, J.-H.; et al. J. Phys. Chem. B 2000, 104, 7273). If the gold were formally Au(III), a strong Jahn-Teller distortion to T- and Y-shaped structures would be expected. In this work, we try to understand the structural preferences of Aul(3) in both the gas phase and the Bi2212 lattice, as well as the influence of the Aul(3) intercalation on the superconductor lattice. What we think actually happens is that there is an effective electron transfer from the s-type Bi lone pair to the gold, increasing the formal oxidation state of Bi from +3 to +5 and decreasing that of Au from +3 to +1. A trigonal Au(I) trihalide is just fine. The DFT results confirm in the Bi-rich regions the same kind of electron transfer as encountered on the EHT level of theory, but they reveal additional complexities of the problem. The effect of the Bi to Recently, a molecular Aul(3) complex was stabilized in the interlayer space of the Bi2Sr2CaCu2Oy (Bi2212) high-T-c superconducting phase, adopting an exceptional D-3h structure (Choy, J.-H.; et al. J. Phys. Chem. B 2000, 104, 7273). If the gold were formally Au(III), a strong Jahn-Teller distortion to T- and Y-shaped structures would be expected. In this work, we try to understand the structural preferences of Aul(3) in both the gas phase and the Bi2212 lattice, as well as the influence of the Aul(3) intercalation on the superconductor lattice. What we think actually happens is that there is an effective electron transfer from the s-type Bi lone pair to the gold, increasing the formal oxidation state of Bi from +3 to +5 and decreasing that of Au from +3 to +1. A trigonal Au(I) trihalide is just fine. The DFT results confirm in the Bi-rich regions the same kind of electron transfer as encountered on the EHT level of theory, but they reveal additional complexities of the problem. The effect of the Bi to Recently, a molecular Aul(3) complex was stabilized in the interlayer space of the Bi2Sr2CaCu2Oy (Bi2212) high-T-c superconducting phase, adopting an exceptional D-3h structure (Choy, J.-H.; et al. J. Phys. Chem. B 2000, 104, 7273). If the gold were formally Au(III), a strong Jahn-Teller distortion to T- and Y-shaped structures would be expected. In this work, we try to understand the structural preferences of Aul(3) in both the gas phase and the Bi2212 lattice, as well as the influence of the Aul(3) intercalation on the superconductor lattice. What we think actually happens is that there is an effective electron transfer from the s-type Bi lone pair to the gold, increasing the formal oxidation state of Bi from +3 to +5 and decreasing that of Au from +3 to +1. A trigonal Au(I) trihalide is just fine. The DFT results confirm in the Bi-rich regions the same kind of electron transfer as encountered on the EHT level of theory, but they reveal additional complexities of the problem. The effect of the Bi to
dcterms:title
Strong electronic consequences of intercalation in cuprate superconductors: The case of a trigonal planar AuI3 complex stabilized in the Bi2Sr2CaCu2Oy lattice Strong electronic consequences of intercalation in cuprate superconductors: The case of a trigonal planar AuI3 complex stabilized in the Bi2Sr2CaCu2Oy lattice Strong electronic consequences of intercalation in cuprate superconductors: The case of a trigonal planar AuI3 complex stabilized in the Bi2Sr2CaCu2Oy lattice
skos:prefLabel
Strong electronic consequences of intercalation in cuprate superconductors: The case of a trigonal planar AuI3 complex stabilized in the Bi2Sr2CaCu2Oy lattice Strong electronic consequences of intercalation in cuprate superconductors: The case of a trigonal planar AuI3 complex stabilized in the Bi2Sr2CaCu2Oy lattice Strong electronic consequences of intercalation in cuprate superconductors: The case of a trigonal planar AuI3 complex stabilized in the Bi2Sr2CaCu2Oy lattice
skos:notation
RIV/00216224:14310/02:00006522!RIV08-MSM-14310___
n3:strany
5542
n3:aktivita
n16:Z
n3:aktivity
Z(MSM 143100011)
n3:cisloPeriodika
19
n3:dodaniDat
n9:2008
n3:domaciTvurceVysledku
n8:1962604
n3:druhVysledku
n10:J
n3:duvernostUdaju
n15:S
n3:entitaPredkladatele
n11:predkladatel
n3:idSjednocenehoVysledku
665386
n3:idVysledku
RIV/00216224:14310/02:00006522
n3:jazykVysledku
n7:eng
n3:klicovaSlova
T-C SUPERCONDUCTORS; MOLECULAR-STRUCTURE; SINGLE-CRYSTAL; BAND-STRUCTURE; AB-INITIO; ENERGY; DIFFRACTION; MODULATION; PSEUDOPOTENTIALS; APPROXIMATION
n3:klicoveSlovo
n6:APPROXIMATION n6:SINGLE-CRYSTAL n6:MODULATION n6:DIFFRACTION n6:AB-INITIO n6:ENERGY n6:T-C%20SUPERCONDUCTORS n6:MOLECULAR-STRUCTURE n6:PSEUDOPOTENTIALS n6:BAND-STRUCTURE
n3:kodStatuVydavatele
US - Spojené státy americké
n3:kontrolniKodProRIV
[FCEA7F10F348]
n3:nazevZdroje
J. Am. Chem. Soc.
n3:obor
n14:CF
n3:pocetDomacichTvurcuVysledku
1
n3:pocetTvurcuVysledku
2
n3:rokUplatneniVysledku
n9:2002
n3:svazekPeriodika
124
n3:tvurceVysledku
Hoffmann, Roald Munzarová, Markéta
n3:zamer
n13:MSM%20143100011
s:issn
0002-7863
s:numberOfPages
8
n17:organizacniJednotka
14310