Visible-light-driven photocatalysts: (La/Bi + N)-codoped NaNbO{sub 3} by first principles

Journal Article · Tue Mar 15 00:00:00 EDT 2011 · Journal of Applied Physics

DOI:https://doi.org/10.1063/1.3554697· OSTI ID:21538157

Guodong, Liu; Shulin, Ji; Liangliang, Yin; Guoping, Xu; Guangtao, Fei; Changhui, Ye ^[1]

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1. Key Laboratory of Materials Physics and Anhui Key Laboratory of Nanomaterials and Technology, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031 (China)

To improve the photocatalytic activity of NaNbO{sub 3} for water splitting, the bandgap and the band edges of NaNbO{sub 3} should be tailored to match the visible part of the solar spectrum and hydrogen and oxygen redox potentials. By analyzing the band structures of La/Bi-doped and (La/Bi + N)-codoped NaNbO{sub 3}, we found that the pseudointermediate band (PIB) was formed in the bandgap in all the doped systems because of the orbital splitting of the Nb 4d induced by the dramatically enlarged O-Nb-O angles. The PIB could make the wide bandgap semiconductors absorb visible-light photons as long as it was degenerate or partially degenerate. Considering that the appropriate band edges and absorption properties, we believe that (La/Bi + N)-codoped NaNbO{sub 3} materials are promising photocatalysts for hydrogen production through water splitting under visible-light irradiation without other modifications.

• OSTI ID: 21538157
• Journal Information: Journal of Applied Physics, Vol. 109, Issue 6; Other Information: DOI: 10.1063/1.3554697; (c) 2011 American Institute of Physics; ISSN 0021-8979
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
ABSORPTION
BISMUTH ADDITIONS
CATALYSTS
DOPED MATERIALS
HYDROGEN
HYDROGEN PRODUCTION
INTERACTIONS
IRRADIATION
LANTHANUM ADDITIONS
MODIFICATIONS
NIOBATES
NITROGEN ADDITIONS
OXYGEN
PHOTOCATALYSIS
PHOTOCHEMISTRY
PHOTONS
SEMICONDUCTOR MATERIALS
SODIUM COMPOUNDS
SURFACES
ALKALI METAL COMPOUNDS
ALLOYS
BISMUTH ALLOYS
BOSONS
CATALYSIS
CHEMISTRY
ELEMENTARY PARTICLES
ELEMENTS
LANTHANUM ALLOYS
MASSLESS PARTICLES
MATERIALS
NIOBIUM COMPOUNDS
NONMETALS
OXYGEN COMPOUNDS
RARE EARTH ADDITIONS
RARE EARTH ALLOYS
REFRACTORY METAL COMPOUNDS
SORPTION
TRANSITION ELEMENT COMPOUNDS