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 journalArticlepeer-review

48 Scopus citations


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 (US)
Pages (from-to)20688-20693
Number of pages6
JournalJournal of Physical Chemistry C
Issue number35
StatePublished - Sep 4 2014

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • General Energy
  • Physical and Theoretical Chemistry
  • Surfaces, Coatings and Films


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