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The dopamine-TiO2 system shows a specific spectroscopic response, surface enhanced Raman scattering (SERS), whose mechanism is not fully understood. In this study, the goal is to reveal the key role of the molecule–nanoparticle interface in the electronic structure by means…

The dopamine-TiO2 system shows a specific spectroscopic response, surface enhanced Raman scattering (SERS), whose mechanism is not fully understood. In this study, the goal is to reveal the key role of the molecule–nanoparticle interface in the electronic structure by means of ab initio modeling. The dopamine adsorption energy on anatase surfaces is computed and related to changes in the electronic structure. Two features are observed: the appearance of a state in the material band gap, and charge transfer between molecule and surface upon electronic excitation. The analysis of the energetics of the systems would point to a selective adsorption of dopamine on the (001) and (100) terminations, with much less affinity for the (101) plane.

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    Title
    • Dopamine Adsorption on TiO2 Anatase Surfaces
    Contributors
    Date Created
    2014-09-04
    Resource Type
  • Text
    • Collections this item is in
    ASU Scholarship Showcase
    Identifier
    • Digital object identifier: 10.1021/jp506156e
    • International standard serial number
      1932-7447
    • International standard serial number
      1932-7455

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    Urdaneta, I., Keller, A., Atabek, O., Palma, J. L., Finkelstein-Shapiro, D., Tarakeshwar, P., Mujica, V., & Calatayud, M. (2014). Dopamine Adsorption on TiO2 Anatase Surfaces. JOURNAL OF PHYSICAL CHEMISTRY C, 118(35), 20688-20693. http://dx.doi.org/10.1021/jp506156e

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