Charging properties of cassiterite (α-SnO2) surfaces in NaCl and RbCl ionic media
作者： Jörgen Rosenqvist , Michael L. Machesky , Lukas Vlcek , Peter T. Cummings , David J. Wesolowski
DOI: 10.1021/LA901396W
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摘要: The acid−base properties of cassiterite (α-SnO2) surfaces at 10−50 °C were studied using potentiometric titrations powder suspensions in aqueous NaCl and RbCl media. proton sorption isotherms exhibited common intersection points the pH range 4.0−4.5 under all conditions, magnitude charging was similar but not identical RbCl. hydrogen bonding configuration oxide−water interface, obtained from classical molecular dynamics (MD) simulations, analyzed detail, results explicitly incorporated calculations protonation constants for reactive surface sites revised MUSIC model. indicated that terminal SnOH2 group is more acidic than bridging Sn2OH group, with (log KH) 3.60 5.13 25 °C, respectively. This contrary to situation on isostructural α-TiO2 (rutile), apparently because difference electronegativity between Ti Sn. MD simulations speciation ...
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