The effect of network topology on proton trapping in amorphous SiO₂
Pineda, A.C.; Karna, S.P.; Kurtz, H.A.; Shedd, W.M.; Pugh, R.D.
Nuclear Science, IEEE Transactions on
Volume 48, Issue 6, Dec 2001 Page(s):2081 - 2085
Digital Object Identifier   10.1109/23.983176
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 SiO₂ depend upon the topology of the interacting network. A neutral hydrogen atom, H⁰ , does not bind to bridging O atoms in the rings, but may occupy voids within larger rings

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