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

172 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

Fingerprint

Aluminum
Doping (additives)
Electronic properties
Experiments
Gene Conversion
Hydrogen production
Electrodeposition
Crystal lattices
Conversion efficiency
Electronic structure
Density functional theory
Substitution reactions
Photons

All Science Journal Classification (ASJC) codes

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

Cite this

Kleiman-Shwarsctein, A., Huda, M. N., Walsh, A., Yan, Y., Stuckyst, G. D., Hu, Y. S., ... 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
Kleiman-Shwarsctein, Alan ; Huda, Muhammad N. ; Walsh, Aron ; Yan, Yanfa ; Stuckyst, Galen D. ; Hu, Yong Sheng ; Al-Jassim, Mowafak M. ; McMland, Eric W. / Electrodeposited aluminum-doped α-Fe2O3 photoelectrodes : Experiment and theory. In: Chemistry of Materials. 2010 ; Vol. 22, No. 2. pp. 510-517.
@article{4343d7052e0343a6bff1e54cd0d11315,
title = "Electrodeposited aluminum-doped α-Fe2O3 photoelectrodes: Experiment and theory",
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.",
author = "Alan Kleiman-Shwarsctein and Huda, {Muhammad N.} and Aron Walsh and Yanfa Yan and Stuckyst, {Galen D.} and Hu, {Yong Sheng} and Al-Jassim, {Mowafak M.} and McMland, {Eric W.}",
year = "2010",
month = "1",
day = "26",
doi = "10.1021/cm903135j",
language = "English",
volume = "22",
pages = "510--517",
journal = "Chemistry of Materials",
issn = "0897-4756",
publisher = "American Chemical Society",
number = "2",

}

Kleiman-Shwarsctein, A, Huda, MN, Walsh, A, Yan, Y, Stuckyst, GD, Hu, YS, Al-Jassim, MM & McMland, EW 2010, 'Electrodeposited aluminum-doped α-Fe2O3 photoelectrodes: Experiment and theory', Chemistry of Materials, vol. 22, no. 2, pp. 510-517. https://doi.org/10.1021/cm903135j

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.; McMland, Eric W.

In: Chemistry of Materials, Vol. 22, No. 2, 26.01.2010, p. 510-517.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Electrodeposited aluminum-doped α-Fe2O3 photoelectrodes

T2 - Experiment and theory

AU - Kleiman-Shwarsctein, Alan

AU - Huda, Muhammad N.

AU - Walsh, Aron

AU - Yan, Yanfa

AU - Stuckyst, Galen D.

AU - Hu, Yong Sheng

AU - Al-Jassim, Mowafak M.

AU - McMland, Eric W.

PY - 2010/1/26

Y1 - 2010/1/26

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=75249083282&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=75249083282&partnerID=8YFLogxK

U2 - 10.1021/cm903135j

DO - 10.1021/cm903135j

M3 - Article

AN - SCOPUS:75249083282

VL - 22

SP - 510

EP - 517

JO - Chemistry of Materials

JF - Chemistry of Materials

SN - 0897-4756

IS - 2

ER -

Kleiman-Shwarsctein A, Huda MN, Walsh A, Yan Y, Stuckyst GD, Hu YS et al. Electrodeposited aluminum-doped α-Fe2O3 photoelectrodes: Experiment and theory. Chemistry of Materials. 2010 Jan 26;22(2):510-517. https://doi.org/10.1021/cm903135j