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Updated: Feb 25, 2026

The Effect of Interfacial Chemical Bonding in TiO2-SiO2 Composites on Their Photocatalytic NOx Abatement Performance
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The Effect of Interfacial Chemical Bonding in TiO2-SiO2 Composites on Their Photocatalytic NOx Abatement Performance

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Ab Initio energetics of SiO bond cleavage

Carolin Hühn1, Andreas Erlebach1, Dorothea Mey1

  • 1Otto Schott Institute of Materials Research, Friedrich Schiller University Jena, Löbdergraben 32, Jena, D-07743, Germany.

Journal of Computational Chemistry
|July 28, 2017
PubMed

Keywords:
CCSD(T)ab initio methodactivation energydissociation energysilica

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