Titanium and Magnesium Co-Alloyed Hematite Thin Films for Photoelectrochemical Water Splitting

Tang, Houwen; Yin, Wan-Jian; Matin, M. A.; Wang, Heli; Deutsch, Todd; Al-Jassim, Mowafak M.; Turner, John A.; Yan, Yanfa

doi:10.1063/1.3699016

Titanium and Magnesium Co-Alloyed Hematite Thin Films for Photoelectrochemical Water Splitting

Journal Article · Sun Apr 01 04:00:00 EDT 2012 · Journal of Applied Physics

DOI:https://doi.org/10.1063/1.3699016· OSTI ID:1045091

Tang, Houwen; Yin, Wan-Jian; Matin, M. A.; Wang, Heli; Deutsch, Todd; Al-Jassim, Mowafak M.; Turner, John A.; Yan, Yanfa

Using a combination of density functional theory calculation and materials synthesis and characterization we examine the properties of charge-compensated Ti and Mg co-alloyed hematite thin films for the application of photoelectrochemical (PEC) water splitting. We find that the charge-compensated co-alloying results in the following effects: (1) It enhances the solubility of Mg and Ti, which leads to reduced electron effective mass and therefore increased electron mobility; (2) It tunes the carrier density and therefore allows the optimization of electrical conductivity; and (3) It reduces the density of charged defects and therefore reduces carrier recombination. As a result, the Ti and Mg co-alloyed hematite thin films exhibit improved water oxidation photocurrent magnitudes as compared to pure hematite thin films. Our results suggest that charge-compensated co-alloying is a plausible approach for engineering hematite for the application of PEC water splitting.

Research Organization:: National Renewable Energy Laboratory (NREL), Golden, CO (United States)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE), Solar Energy Technologies Office (EE-4S)

DOE Contract Number:: AC36-08GO28308

OSTI ID:: 1045091

Report Number(s):: NREL/JA-5200-53919

Journal Information:: Journal of Applied Physics, Journal Name: Journal of Applied Physics Journal Issue: 7 Vol. 111; ISSN JAPIAU; ISSN 0021-8979

Country of Publication:: United States

Language:: English

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08 HYDROGEN
14 SOLAR ENERGY
36 MATERIALS SCIENCE
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DEFECTS
EFFECTIVE MASS
ELECTRIC CONDUCTIVITY
ELECTRON MOBILITY
ELECTRONS
FUNCTIONALS
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PHOTOCURRENTS
RECOMBINATION
SOLUBILITY
SYNTHESIS
THIN FILMS
TITANIUM
WATER
hydrogen
photoelectrochemical (PEC)
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Titanium and Magnesium Co-Alloyed Hematite Thin Films for Photoelectrochemical Water Splitting

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