Dissociative Chemisorption of Water onto Silica Surfaces and

May 29, 2009 - TABLE 1: (c) Three Body Parameters. O-Si-O ) β-R-β. Si-O-Si ) β-R-β. H-O-H ) β-R-β. Si-O-H ) β-R-δ λ (ergs). 15 × 10-11. 1 ×...
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J. Phys. Chem. C 2009, 113, 11177

11177

ADDITIONS AND CORRECTIONS 2008, Volume 112C Thiruvilla Mahadevan and Stephen Garofalini*: Dissociative Chemisorption of Water onto Silica Surfaces and Formation of Hydronium Ions Pages 1507-1515. Equation 6 is redundant (5 ) 6). Equation 7 should read

( )

erfc Urep(rij) )

Aijrep2ξrij

rij

2ξrij

rij

0 There are errors in the λ values and the rRβ in the original Table 1c.

TABLE 1: (c) Three Body Parameters

λ (ergs) γRβ (Å) γRδ (Å) 0 rRβ Z (Å) 0 rRδ Z (Å) θ°jik

O-Si-O ) β-R-β

Si-O-Si ) β-R-β

H-O-H ) β-R-β

Si-O-H ) β-R-δ

15 × 10-11 2.8

1 × 10-11 2.0

30 × 10-11 1.3

3.0

2.8

1.6

109.47

109.47

100

5.0 × 10-11 2.0 1.2 2.8 1.5 109.47

10.1021/jp904565z Published on Web 05/29/2009