Electrodeposited aluminum-doped α-Fe2O3 photoelectrodes: experiment and theory

Kleiman-Shwarsctein, Alan, Huda, Muhammad N., Walsh, Aron, Yan, Yanfa, Stuckyst, Galen D., Hu, Yong-Sheng, Al-Jassim, Mowafak M. and McMland, Eric W. (2010) Electrodeposited aluminum-doped α-Fe2O3 photoelectrodes: experiment and theory. Chemistry of Materials, 22 2: 510-517. doi:10.1021/cm903135j

Author Kleiman-Shwarsctein, Alan
Huda, Muhammad N.
Walsh, Aron
Yan, Yanfa
Stuckyst, Galen D.
Hu, Yong-Sheng
Al-Jassim, Mowafak M.
McMland, Eric W.
Title Electrodeposited aluminum-doped α-Fe2O3 photoelectrodes: experiment and theory
Journal name Chemistry of Materials   Check publisher's open access policy
ISSN 0897-4756
Publication date 2010-01-26
Sub-type Article (original research)
DOI 10.1021/cm903135j
Open Access Status Not yet assessed
Volume 22
Issue 2
Start page 510
End page 517
Total pages 8
Place of publication Washington, DC, United States
Publisher American Chemical Society
Language eng
Abstract Substitutional doping can improve the electronic properties of α-Fe2O3 for the solar photoelectrochemical PEC) applications. Generally speaking, nonisovalent substitutional doping helps to enhance the electronic conductivity of α-Fe2O3. However, we found that the introduction of strain in the lattice, which is achieved by isovalent substitutional doping of an Al, can also improve the electronic properties. α-Fe2O3 films with the Al dopant atomic concentration varying from 0 to 10% were prepared by electrodeposition, and their performance for photoelectrochemical hydrogen production was characterized. Results indicate that the incident photon conversion efficiency (IPCE) for ∼0.45 at-% Al substitution increases by 2- to 3-fold over undoped samples. Density-functional theory (DFT) was utilized to interpret the experimental findings. It was shown that although no substantial change to the electronic structure, a contraction of the crystal lattice due to the isovalent replacement Of Fe3+ by an Al3+ benefits the small polaron migration, resulting in an improvement in conductivity compared to the undoped samples.
Q-Index Code C1
Q-Index Status Provisional Code
Institutional Status Non-UQ

Document type: Journal Article
Sub-type: Article (original research)
Collection: School of Chemical Engineering Publications
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