1997
DOI: 10.1002/bbpc.199700030
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Migration of Atomic and Molecular Hydrogen in SiO2: A Molecular Dynamics Study

Abstract: We present a theoretical investigation on diffusion of atomic and molecular hydrogen in crystalline as well as amorphous silicon dioxide by means of molecular dynamics simulations. We report a characterization of the migration process of atomic hydrogen in quartz and tridymite and we provide an atomistic description of the diffusion of both atomic and molecular hydrogen in silica.

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Cited by 2 publications
(1 citation statement)
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“…Some of this hydrogen enters into and diffuses through the BPSG. Although the literature is not clear on this point, 10 it seems as if hydrogen prefers to diffuse through SiO 2 in molecular form. 11,12 However, it is likely that some of the hydrogen molecules first dissociate on the surface of the oxide and then diffuse in atomic form through the oxide.…”
Section: Resultsmentioning
confidence: 99%
“…Some of this hydrogen enters into and diffuses through the BPSG. Although the literature is not clear on this point, 10 it seems as if hydrogen prefers to diffuse through SiO 2 in molecular form. 11,12 However, it is likely that some of the hydrogen molecules first dissociate on the surface of the oxide and then diffuse in atomic form through the oxide.…”
Section: Resultsmentioning
confidence: 99%