Dopamine adsorption on TiO2 anatase surfaces

I. Urdaneta, A. Keller, O. Atabek, J. L. Palma, D. Finkelstein-Shapiro, P. Tarakeshwar, V. Mujica, M. Calatayud

Research output: Contribution to journalArticle

30 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)20688-20693
Number of pages6
JournalJournal of Physical Chemistry C
Volume118
Issue number35
DOIs
Publication statusPublished - Sep 4 2014

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Energy(all)
  • Physical and Theoretical Chemistry
  • Surfaces, Coatings and Films

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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. https://doi.org/10.1021/jp506156e