Reactions and Diffusion of Water and Oxygen Molecules in Amorphous [Formula presented]

T. Bakos, Sergey Rashkeev, S. T. Pantelides

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Abstract

Water and oxygen molecules determine many of the properties of amorphous [Formula presented] used in several technologies, but the underlying atomic-scale processes remain unresolved. We report results of first-principles calculations showing that a wide range of behavior is possible in an amorphous environment, including diffusion of the molecule as a whole and various reactions with the network. Experimental data including oxygen exchange reaction and radiation sensitivity are accounted for. The possibility of [Formula presented] formation as a source of positive charge is discussed.

Original languageEnglish
Number of pages1
JournalPhysical Review Letters
Volume88
Issue number5
DOIs
Publication statusPublished - 1 Jan 2002

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ASJC Scopus subject areas

  • Physics and Astronomy(all)

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