Low reactivity of non-bridging oxygen defects on stoichiometric silica surfaces.
Using ab initio molecular dynamics simulations we demonstrate that surfaces of stoichiometric silica exhibiting non-bridging oxygen defects can be surprisingly resistant to attack by water.
Hamad
Said
S
Dept. of Chemistry, University College London, London, UKWC1H 0AJ.
Bromley
Stefan T
ST
D008958:Models, Molecular; D010100:Oxygen / Q000737:chemistry*; D012822:Silicon Dioxide / Q000737:chemistry*
D012822:Silicon Dioxide; D010100:Oxygen