Interaction of Water with Atomic Layer Deposited Titanium Dioxide on p‐Si Photocathode: Modeling of Photoelectrochemical Interfaces in Ultrahigh Vacuum with Cryo‐Photoelectron Spectroscopy

Advanced Materials Interfaces - Tập 8 Số 11 - 2021
Thorsten Cottre1, Mathias Fingerle1, Melanie Kranz1, Thomas Mayer1, Bernhard Kaiser1, Wolfram Jaegermann1
1Surface Science Group Materials Science Department Technical University of Darmstadt Otto‐Berndt‐Str. 3 64287 Darmstadt Germany

Tóm tắt

AbstractThis study combines cryo‐photoelectron spectroscopy and electrochemical analysis techniques to investigate the p‐Si/SiO2/TiO2/H2O system in the context of water‐splitting. Atomic layer deposition is used for the preparation of a TiO2 thin film coating for a p‐Si/SiO2 photocathode. First, an interface experiment is performed to study the contact properties of the interface between p‐Si/SiO2 and TiO2. For the p‐Si/TiO2 heterojunction, a downward band bending of 0.3 eV is found for the p‐Si toward the interface. Second, a water adsorption experiment is conducted, which allows the investigation of the surface chemistry of the TiO2 coating in contact to water. A direct correlation between the amount of surface hydroxide species, formed due to water dissociation, and Ti3+ defect state density is found. Furthermore, a surface water species can be identified in addition to the commonly found bulk molecular water. Together with the results from a Mott–Schottky analysis, a complete energy level alignment can be constructed.

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Advanced Materials Interfaces

Tập 8 Số 11

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