DFT calculations on TS-1 model clusters showed that activation of hydrogen peroxide on titanium silicalite-1 (TS-1) led to form a water adduct of peroxy TS-1 complex, which was examined as an oxidizing agent in the catalytic reaction cycle to produce epoxyethane from ethene.
ASJC Scopus subject areas
- Condensed Matter Physics
- Physical and Theoretical Chemistry
- Surfaces, Coatings and Films
- Materials Chemistry