Coating TiO2 Anatase by Amorphous Al2O3: Effects on Dyes Anchoring Through Carboxyl Groups

View Author Information
Department of Physics & Astronomy, University College London, London, WC1E 6BT, U.K.
International Center for Materials Nanoarchitectonics (MANA), 1-1 Namiki, Tsukuba, Ibaraki 305-0044, Japan
*E-mail: [email protected]. Phone: +44 (0)20 76797229. Fax: +44 (0)20 7679 0595.
Cite this: J. Phys. Chem. C 2012, 116, 7, 4408–4415
Publication Date (Web):January 21, 2012
https://doi.org/10.1021/jp209862s
Copyright © 2012 American Chemical Society
Article Views
1068
Altmetric
-
Citations
LEARN ABOUT THESE METRICS
Read OnlinePDF (4 MB)

Abstract

We have studied by density functional theory the amorphous Al2O3 (a-Al2O3)/TiO2 anatase (101) interface. The a-Al2O3 sample was generated by following a “melt and quench” technique, in which the corundum phase of Al2O3 was first melted at the temperature of 5000 K and then gradually cooled to 0 K. Once placed on TiO2 anatase, the overlayer has been employed for the adsorption of formic acid (HCOOH). Compared to the bare anatase (101), the adsorption of HCCOH is enormously stabilized in the presence of the coating, regardless of its thickness. Additional calculations confirm the trend also when the benchmark N3 dye, binding through two carboxyl groups (−COOH), is used. These results help to understand the improvement in dye-sensitized solar cell efficiencies after the a-Al2O3 coating of the TiO2 electrode.

Cited By


This article is cited by 8 publications.

  1. Wolf-Dietrich Zabka, Tiziana Musso, Mathias Mosberger, Zbynek Novotny, Roberta Totani, Marcella Iannuzzi, Benjamin Probst, Roger Alberto, Jürg Osterwalder. Comparative Study of the Different Anchoring of Organometallic Dyes on Ultrathin Alumina. The Journal of Physical Chemistry C 2019, 123 (36) , 22250-22260. https://doi.org/10.1021/acs.jpcc.9b05209
  2. Michael J. Katz, Michael J. DeVries Vermeer, Omar K. Farha, Michael J. Pellin, and Joseph T. Hupp . Dynamics of Back Electron Transfer in Dye-Sensitized Solar Cells Featuring 4-tert-Butyl-Pyridine and Atomic-Layer-Deposited Alumina as Surface Modifiers. The Journal of Physical Chemistry B 2015, 119 (24) , 7162-7169. https://doi.org/10.1021/jp506083a
  3. Filippo De Angelis, Cristiana Di Valentin, Simona Fantacci, Andrea Vittadini, and Annabella Selloni . Theoretical Studies on Anatase and Less Common TiO2 Phases: Bulk, Surfaces, and Nanomaterials. Chemical Reviews 2014, 114 (19) , 9708-9753. https://doi.org/10.1021/cr500055q
  4. U. Terranova and D. R. Bowler . Δ Self-Consistent Field Method for Natural Anthocyanidin Dyes. Journal of Chemical Theory and Computation 2013, 9 (7) , 3181-3188. https://doi.org/10.1021/ct400356k
  5. Yu‐Cheng Shao, Cheng‐Tai Kuo, Xuefei Feng, Yi‐De Chuang, Tae Jun Seok, Ji Hyeon Choi, Tae Joo Park, Deok‐Yong Cho. Interface Carriers and Enhanced Electron‐Phonon Coupling Effect in Al 2 O 3 /TiO 2 Heterostructure Revealed by Resonant Inelastic Soft X‐Ray Scattering. Advanced Functional Materials 2021, 353 , 2104430. https://doi.org/10.1002/adfm.202104430
  6. Barbara Farkaš, Umberto Terranova, Nora H. de Leeuw. Binding modes of carboxylic acids on cobalt nanoparticles. Physical Chemistry Chemical Physics 2020, 22 (3) , 985-996. https://doi.org/10.1039/C9CP04485J
  7. Steven R Schofield, Veronika Brázdová. Organic molecules on inorganic surfaces. Journal of Physics: Condensed Matter 2015, 27 (5) , 050301. https://doi.org/10.1088/0953-8984/27/5/050301
  8. Do Han Kim, Mark D. Losego, Kenneth Hanson, Leila Alibabaei, Kyoungmi Lee, Thomas J. Meyer, Gregory N. Parsons. Stabilizing chromophore binding on TiO 2 for long-term stability of dye-sensitized solar cells using multicomponent atomic layer deposition. Phys. Chem. Chem. Phys. 2014, 16 (18) , 8615-8622. https://doi.org/10.1039/C4CP01130A