Titanium Silicalite-1 (TS-1) is a titanium zeolite, whose peculiarity is the presence of Ti atoms isomorphously substituting the Si ones at tetrahedral framework positions. However, real TS-1 samples are characterized by the co-presence of other Ti sites, ranging from extended TiO2phases down to defective Ti sites. The “defective Ti” label covers a broad range of possible Ti moieties, whose structural description is in most of the cases barely qualitative in the literature. In this work, we combined experimental and theoretical approaches, aiming to unravel the exact structure of defective Ti sites.
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