Influence of Residual Silanol Groups on Solvent and Ion Distribution at a Chemically Modified Silica Surface

We report on molecular dynamics simulations of solvent and ion distribution at a prototypic alkyl-modified silica surface under explicit consideration of residual silanol group activity. The model contains two β-cristobalite silica walls with dimethyloctylsilyl (C8) ligands as the main modification...

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Veröffentlicht in:	Journal of physical chemistry. C 2009-05, Vol.113 (21), p.9230-9238
Hauptverfasser:	Melnikov, Sergey M, Höltzel, Alexandra, Seidel-Morgenstern, Andreas, Tallarek, Ulrich
Format:	Artikel
Sprache:	eng
Schlagworte:	C: Surfaces, Interfaces, Catalysis
Online-Zugang:	Volltext
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