Stability of xenon oxides at high pressures
| Autor: | Artem R. Oganov, Colin W. Glass, Qiang Zhu, Carlo Gatti, Andriy O. Lyakhov, Daniel Y. Jung |
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| Rok vydání: | 2012 |
| Předmět: |
Xenon
General Chemical Engineering Ab initio FOS: Physical sciences chemistry.chemical_element 02 engineering and technology Crystallography X-Ray 010402 general chemistry 01 natural sciences Mantle (geology) Electronegativity Metal Pressure Inert Condensed Matter - Materials Science Temperature Materials Science (cond-mat.mtrl-sci) Oxides General Chemistry 021001 nanoscience & nanotechnology 0104 chemical sciences 3. Good health Stable xenon chemistry 13. Climate action Chemical physics visual_art High pressure visual_art.visual_art_medium Quantum Theory Atomic physics 0210 nano-technology |
| Zdroj: | Nature Chemistry. 5:61-65 |
| ISSN: | 1755-4349 1755-4330 |
| DOI: | 10.1038/nchem.1497 |
| Popis: | Xenon, which is quite inert under ambient conditions, may become reactive under pressure. The possibility of formation of stable xenon oxides and silicates in the interior of the Earth could explain the atmospheric missing xenon paradox. Using the ab initio evolutionary algorithm, we predict the thermodynamical stabilization of Xe-O compounds at high pressures (XeO, XeO2 and XeO3 at pressures above 83, 102 and 114 GPa, respectively). Our calculations indicate large charge transfer in these oxides, suggesting that large electronegativity difference and pressure are the key factors favoring the formation of xenon compounds. Xenon compounds in the Earth's mantle, however, cannot directly explain the missing xenon paradox: xenon oxides are unstable in equilibrium with metallic iron in the Earth's lower mantle, while xenon silicates are predicted to spontaneously decompose at all mantle pressures ( 6 page, 3 figures; Nature Chemistry, 2013 January; http://www.nature.com/nchem/journal/vaop/ncurrent/abs/nchem.1497.html |
| Databáze: | OpenAIRE |
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