Effects of the environment on work function of single crystals of TiO2

In the cooperation of HIPC and the Faculty of Mathematics and Physics, Charles University, the publication describing the important physical parameters of nanostructured TiO2 material was published in Journal of Physical Chemistry C. The scientific research on this subject was supported by LRI NanoEnviCz.

These results were published in the cooperation of JHIPC and the Faculty of Mathematics and Physics, Charles University in J. Phys. Chem. C. The knowledge of Wf and ECB of TiO2 is important not only for solar cells, but also for solving fundamental questions in photocatalysis, solar fuels and Li-ion batteries. Our results rationalize various earlier contradictions and highlight the need for proper analytical techniques and experimental conditions for investigation of the band energetics. Electrochemical impedance spectroscopy, photoelectron spectroscopy, and Kelvin probe measurements on various TiO2 single-crystal surfaces show that the position of the Fermi level and the conduction band minimum depend significantly on the sample environment (vacuum, air, water vapor, and aqueous or aprotic electrolyte solutions). Furthermore, the photoelectron spectra in water vapor reveal a strong upshift of the conduction band, which is nearly reversible in the early stages of water/titania interactions.


V. Mansfeldova, M. Zlamalova, H. Tarabkova, P. Janda, M. Vorokhta, L. Piliai, L. Kavan: Work Function of TiO2 (Anatase, Rutile, and Brookite) Single Crystals: Effects of the Environment, J. Phys. Chem. C, 125 (2021) 1902−1912


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