Modelling of aqueous solvation of eosin Y at the rutile TiO2(110)/water interface

Mol. dynamics simulations at 298 K are used to study an aq. dissolved dye (eosin Y) adsorbed at the TiO2(1 1 0) surface to ext. static and dynamic information of solvation. Differences in the phys. behavior of the dye at the surface and in bulk H2O are compared with recent transient absorption and photon echo expts. within the limits of linear response. The calcd. solvent dynamics features fast contributions, which change very little at the surface as well as a slow component, which slows down by a factor of 2 at the interface, in good agreement with exptl. data. [on SciFinder (R)]


Published in:
Chemical Physics Letters, 430, 4-6, 375-379
Year:
2006
Keywords:
Note:
CAN 146:33974
66-4
Surface Chemistry and Colloids
Institute of Physical Chemistry,University of Vienna,Vienna,Austria.
Journal
0009-2614
written in English.
13463-67-7 (Titanium oxide (TiO2); 17372-87-1 (Eosin Y) Role: PEP (Physical, engineering or chemical process), PRP (Properties), PROC (Process) (modeling of aq. solvation of eosin Y adsorbed at rutile TiO2(110)/water interface)
Other identifiers:
Laboratories:




 Record created 2007-05-31, last modified 2018-03-17


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