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We performed systematic first principles calculations based on density functional theory to probe the energetics of dissociation of water molecules on small (TiO 2 ) n (n=3, 4, 6, 8, and 10) clusters. We found that the (TiO 2 ) n clusters have a strong ability to adsorb water molecules and the dissociative adsorption of water molecules on the surface of (TiO 2 ...
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