2016
DOI: 10.1038/srep18938
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Krypton oxides under pressure

Abstract: Under high pressure, krypton, one of the most inert elements is predicted to become sufficiently reactive to form a new class of krypton compounds; krypton oxides. Using modern ab-initio evolutionary algorithms in combination with Density Functional Theory, we predict the existence of several thermodynamically stable Kr/O species at elevated pressures. In particular, our calculations indicate that at approx. 300 GPa the monoxide, KrO, should form spontaneously and remain thermo- and dynamically stable with res… Show more

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Cited by 15 publications
(14 citation statements)
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“…Krypton oxides do not exist, although they have been predicted to be stable above approximately 300 GPa. 35 Such predictions are in accord with a small electronegativity difference between oxygen and krypton at 1 atm and imply that the electronegativity of oxygen relative to krypton increases under compression. We will report on the explicit effect of pressure on electronegativity in a separate publication.…”
Section: ■ Oxygensupporting
confidence: 59%
“…Krypton oxides do not exist, although they have been predicted to be stable above approximately 300 GPa. 35 Such predictions are in accord with a small electronegativity difference between oxygen and krypton at 1 atm and imply that the electronegativity of oxygen relative to krypton increases under compression. We will report on the explicit effect of pressure on electronegativity in a separate publication.…”
Section: ■ Oxygensupporting
confidence: 59%
“…In addition, recent theoretical work on solid–gas reactions such as Mg with Xe, Kr and Ar, iron and nickel with xenon, Kr with oxygen, and the possible formation of helium compounds warrants extensive exploratory synthesis efforts. The recent synthesis of a NiAr Laves phase and (Xe,Si)­O 2 supports changes of electronegativity at high pressures and the opportunity to synthesize new materials with unusual properties.…”
mentioning
confidence: 99%
“…On Earth, better understanding of the processes guiding the evolution of atmospheric nitrogen on Earth, from its presence in a protoplanetary disc 2 to its present-day appearance in deep mantle reservoirs, is needed. 3,4 In addition, recent theoretical work on solid−gas reactions such as Mg with Xe, Kr and Ar, 5 iron and nickel with xenon, 6 Kr with oxygen, 7 and the possible formation of helium compounds 8 warrants extensive exploratory synthesis efforts. The recent synthesis of a NiAr Laves phase 9 and (Xe,Si)O 2 10 supports changes of electronegativity at high pressures 11 and the opportunity to synthesize new materials with unusual properties.…”
mentioning
confidence: 99%
“…Under high pressure, Xe can also gain electrons from Mg or Li 14,15 . The lighter NG elements such as Kr and Ar can also form compounds under high pressure via electron transfer [16][17][18] . As the radii of the NG elements become smaller, their ionization potential become higher and the electron affinity lower.…”
mentioning
confidence: 99%