The effect of network topology on proton trapping in amorphous SiO 2

The effect of network topology on proton trapping in amorphous SiO 2

We report the results of first-principles quantum chemical calculations of the interactions of H/H( ) with oxide ring structures of varying sizes. The calculations suggest that the binding and stability of protons in amorphous SiO)2) depend upon the topology of the interacting network. A neutral hyd...

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Bibliographic Details
Published in:IEEE transactions on nuclear science Vol. 48; no. 6; pp. 2081 - 2085
Main Authors: Pineda, A C, Karna, S P, Kurtz, H A, Shedd, W M, Pugh, R D
Format: Journal Article
Language:English
Published: New York The Institute of Electrical and Electronics Engineers, Inc. (IEEE) 01-12-2001
Online Access:Get full text
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Summary:We report the results of first-principles quantum chemical calculations of the interactions of H/H( ) with oxide ring structures of varying sizes. The calculations suggest that the binding and stability of protons in amorphous SiO)2) depend upon the topology of the interacting network. A neutral hydrogen atom, H(0 ), does not bind to bridging O atoms in the rings, but may occupy voids within larger rings
Bibliography:ObjectType-Article-2
SourceType-Scholarly Journals-1
ObjectType-Feature-1
content type line 23
ISSN:0018-9499
1558-1578
DOI:10.1109/23.983176