Xenon oxides and silicates at high pressures (Articolo in rivista)

Type
Label
  • Xenon oxides and silicates at high pressures (Articolo in rivista) (literal)
Anno
  • 2013-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1038/NCHEM.1497 (literal)
Alternative label
  • Zhu Q., Jung D.Y., Oganov A.R., Gatti C., Glass C.W., Lyakhov A.O. (2013)
    Xenon oxides and silicates at high pressures
    in Nature chemistry (Print); Nature Publishing Group, London (Regno Unito)
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Zhu Q., Jung D.Y., Oganov A.R., Gatti C., Glass C.W., Lyakhov A.O. (literal)
Pagina inizio
  • 61 (literal)
Pagina fine
  • 65 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 5 (literal)
Rivista
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#pagineTotali
  • 5 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • 1,3,6: Department of Geosciences, Department of Physics and Astronomy, Stony Brook University, Stony Brook, New York 11794-2100, USA, 2 : Laboratory of Crystallography, Department of Materials, ETH Honggerberg, Zurich, Switzerland, 3 : Geology Department, Moscow State University, 119992 Moscow, Russia, 5 : High Performance Computing Center, Universita┬Ęt Stuttgart, 70550, Stuttgart, Germany, 4 : Istituto di Scienze e Tecnologie Molecolari del CNR (CNR-ISTM) e Dipartimento di Chimica, Universita' di Milano, via Golgi 19, 20133 Milan, Italy. (literal)
Titolo
  • Xenon oxides and silicates at high pressures (literal)
Abstract
  • Xenon, which is quite inert under ambient conditions, may become reactive under pressure. The possibility of the formation of stable xenon oxides and silicates in the interior of the Earth could explain the atmospheric missing xenon paradox. Using an ab initio evolutionary algorithm, we predict the existence of hermodynamically stable Xe-O compounds at high pressures (XeO, XeO2 and XeO3 become stable at pressures above 83, 102 and 114 GPa, respectively). Our calculations indicate large charge transfer in these oxides, suggesting that large electronegativity difference and high pressure are the key factors favouring the formation of xenon compounds. However, xenon compounds cannot exist in the Earth's mantle: xenon oxides are unstable in equilibrium with the metallic iron occurring in the lower mantle, and xenon silicates are predicted to decompose spontaneously at all mantle pressures (<136 GPa). However, it is possible that xenon atoms may be retained at defects in mantle silicates and oxides. (literal)
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