Titanium and Magnesium Co-Alloyed Hematite Thin Films for Photoelectrochemical Water Splitting
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 Lab. (NREL), Golden, CO (United States)
- Sponsoring Organization:
- USDOE Office of Energy Efficiency and Renewable Energy (EERE), Renewable Power Office. Solar Energy Technologies Office
- DOE Contract Number:
- AC36-08GO28308
- OSTI ID:
- 1045091
- Report Number(s):
- NREL/JA-5200-53919; JAPIAU; TRN: US201214%%919
- Journal Information:
- Journal of Applied Physics, Vol. 111, Issue 7; Related Information: Article No. 073502; ISSN 0021-8979
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
14 SOLAR ENERGY
36 MATERIALS SCIENCE
CARRIER DENSITY
DEFECTS
EFFECTIVE MASS
ELECTRIC CONDUCTIVITY
ELECTRON MOBILITY
ELECTRONS
FUNCTIONALS
HEMATITE
MAGNESIUM
OPTIMIZATION
OXIDATION
PHOTOCURRENTS
RECOMBINATION
SOLUBILITY
SYNTHESIS
THIN FILMS
TITANIUM
WATER
photoelectrochemical (PEC)
hydrogen
solar energy