Prospects for a synthetic route towards well-defined stoichiometric silica nanoclusters: From siloxane to silica

Martijn A. Zwijnenburg, Stefan T. Bromley*, Edwin Flikkema, Thomas Maschmeyer

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

15 Citations (SciVal)

Abstract

Based upon computational considerations, a novel synthetic route towards well-defined stoichiometric silica nanoclusters is proposed. Density-functional calculations demonstrate the viability of a route based upon siloxane cage thermolysis, while, molecular dynamics calculations were performed to test the stability of the cages formed. We predict for small siloxane cages defect-rich structures to be the main product, while, for larger siloxane cages fully coordinated silica nanoclusters iso-structural to their precursor to be formed. Overall, thermolysis of siloxane cages is expected to present a viable route towards specific types of metastable yet, well-defined silica nanoclusters, not obtainable by less targeted cluster generation methods.

Original languageEnglish
Pages (from-to)389-393
Number of pages5
JournalChemical Physics Letters
Volume385
Issue number5-6
DOIs
Publication statusPublished - 16 Feb 2004
Externally publishedYes

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