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• W2022754859 abstract "Water ice dissociates into a superionic solid at high temperature (>2,000 K) and pressure, where oxygen forms the lattice, but hydrogen diffuses completely. At low temperature, however, the dissociation into an ionic ice of hydronium (H(3)O)(+) hydroxide (OH)(-) is not expected because of the extremely high energy cost (~1.5 eV) of proton transfer between H(2)O molecules. Here we show the pressure-induced formation of a partially ionic phase (monoclinic P2(1) structure) consisting of coupled alternate layers of (OH)(δ-) and (H(3)O)(δ+) (δ=0.62) in water ice predicted by particle-swarm optimization structural search at zero temperature and pressures of >14 Mbar. The occurrence of this ionic phase follows the break-up of the typical O-H covalently bonded tetrahedrons in the hydrogen symmetric atomic phases and is originated from the volume reduction favourable for a denser structure packing." @default.
• W2022754859 created "2016-06-24" @default.
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• W2022754859 date "2011-09-01" @default.
• W2022754859 modified "2023-10-12" @default.
• W2022754859 title "High pressure partially ionic phase of water ice" @default.
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• W2022754859 doi "https://doi.org/10.1038/ncomms1566" @default.
• W2022754859 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/22127059" @default.
• W2022754859 hasPublicationYear "2011" @default.
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