Dopamine adsorption on TiO2 anatase surfaces

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

Research output: Contribution to journalArticle

25 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

Fingerprint

dopamine
anatase
Titanium dioxide
Dopamine
Adsorption
adsorption
Electronic structure
electronic structure
Molecules
affinity
Charge transfer
Raman scattering
molecules
Energy gap
charge transfer
Raman spectra
Nanoparticles
nanoparticles
electronics
excitation

ASJC Scopus subject areas

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

Cite this

Urdaneta, I., Keller, A., Atabek, O., Palma, J. L., Finkelstein-Shapiro, D., Tarakeshwar, P., ... Calatayud, M. (2014). Dopamine adsorption on TiO2 anatase surfaces. Journal of Physical Chemistry C, 118(35), 20688-20693. https://doi.org/10.1021/jp506156e

Dopamine adsorption on TiO2 anatase surfaces. / Urdaneta, I.; Keller, A.; Atabek, O.; Palma, J. L.; Finkelstein-Shapiro, D.; Tarakeshwar, P.; Mujica, Vladimiro; Calatayud, M.

In: Journal of Physical Chemistry C, Vol. 118, No. 35, 04.09.2014, p. 20688-20693.

Research output: Contribution to journalArticle

Urdaneta, I, Keller, A, Atabek, O, Palma, JL, Finkelstein-Shapiro, D, Tarakeshwar, P, Mujica, V & Calatayud, M 2014, 'Dopamine adsorption on TiO2 anatase surfaces', Journal of Physical Chemistry C, vol. 118, no. 35, pp. 20688-20693. https://doi.org/10.1021/jp506156e
Urdaneta I, Keller A, Atabek O, Palma JL, Finkelstein-Shapiro D, Tarakeshwar P et al. Dopamine adsorption on TiO2 anatase surfaces. Journal of Physical Chemistry C. 2014 Sep 4;118(35):20688-20693. https://doi.org/10.1021/jp506156e
Urdaneta, I. ; Keller, A. ; Atabek, O. ; Palma, J. L. ; Finkelstein-Shapiro, D. ; Tarakeshwar, P. ; Mujica, Vladimiro ; Calatayud, M. / Dopamine adsorption on TiO2 anatase surfaces. In: Journal of Physical Chemistry C. 2014 ; Vol. 118, No. 35. pp. 20688-20693.
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