MIGRATION OF ATOMIC AND MOLECULAR-HYDROGEN IN SIO2 - A MOLECULAR-DYNAMICS STUDY

Authors
BONGIORNO A COLOMBO L
Citation
A. Bongiorno et L. Colombo, MIGRATION OF ATOMIC AND MOLECULAR-HYDROGEN IN SIO2 - A MOLECULAR-DYNAMICS STUDY, Berichte der Bunsengesellschaft fur Physikalische Chemie, 101(9), 1997, pp. 1229-1231
Citations number
18
Categorie Soggetti
Chemistry Physical
Journal title
Berichte der Bunsengesellschaft fur Physikalische Chemie
ISSN journal
00059021 → ACNP
Volume
101
Issue
9
Year of publication
1997
Pages
1229 - 1231
Database
ISI
SICI code
0005-9021(1997)101:9<1229:MOAAMI>2.0.ZU;2-O
Abstract
We present a theoretical investigation on diffusion of atomic and mole cular 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 an d we provide an atomistic description of the diffusion of both atomic and molecular hydrogen in silica.