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

Alan Kleiman-Shwarsctein, Muhammad N. Huda, Aron Walsh, Yanfa Yan, Galen D. Stuckyst, Yong Sheng Hu, Mowafak M. Al-Jassim, Eric W. McMland

Research output: Contribution to journalArticle

174 Citations (Scopus)

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.

Original languageEnglish
Pages (from-to)510-517
Number of pages8
JournalChemistry of Materials
Volume22
Issue number2
DOIs
Publication statusPublished - 2010 Jan 26

All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Chemical Engineering(all)
  • Materials Chemistry

Fingerprint Dive into the research topics of 'Electrodeposited aluminum-doped α-Fe<sub>2</sub>O<sub>3</sub> photoelectrodes: Experiment and theory'. Together they form a unique fingerprint.

  • Cite this

    Kleiman-Shwarsctein, A., Huda, M. N., Walsh, A., Yan, Y., Stuckyst, G. D., Hu, Y. S., Al-Jassim, M. M., & McMland, E. W. (2010). Electrodeposited aluminum-doped α-Fe2O3 photoelectrodes: Experiment and theory. Chemistry of Materials, 22(2), 510-517. https://doi.org/10.1021/cm903135j