Low reactivity of non-bridging oxygen defects on stoichiometric silica surfaces†
Abstract
Using ab initio molecular dynamics simulations we demonstrate that surfaces of stoichiometric
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* Corresponding authors
a Dept. of Chemistry, University College London, London, UK
b
Dept. Química Fisica i Institut de Recerca de Química Teórica i Computacional, Uni. de Barcelona, Spain
E-mail:
s.bromley@ub.edu
Fax: +34 934021231
Tel: +34 934039266
c
Institució Catalana de Recerca i Estudis Advançats (ICREA), Spain
E-mail:
stefan.bromley@icrea.cat
Using ab initio molecular dynamics simulations we demonstrate that surfaces of stoichiometric
S. Hamad and S. T. Bromley, Chem. Commun., 2008, 4156 DOI: 10.1039/B807291D
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