Electron structure and optical absorption properties of cubic and orthorhombic NaTaO3 by density functional theory

Li, Z.H.; Chen, G.; Liu, J.W.

doi:10.1016/j.ssc.2007.05.041

Cited by 48 publications

(25 citation statements)

References 19 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…In contrary the absorption of the Bi-doped and La/Bi codoped samples exhibits a strong red shift. According to the calculated results in some previous paper, 13,14) the orthorhombic phase of NaTaO 3 has a direct band gap. Therefore, energy band gap E g can calculate from the following equation:…”

Section: Powder X-ray Diffraction Analysismentioning

confidence: 71%

Hydrothermal Synthesis, Structure and Photocatalytic Properties of La/Bi Co-Doped NaTaO<sub>3</sub>

Lan¹,

Phan²,

Hoàng³

et al. 2016

Mater. Trans.

View full text Add to dashboard Cite

-doped NaTaO 3 nanomaterials for photocatalytic applications have been successfully synthesized by hydrothermal method at low temperature. The obtained materials were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive spectroscopy (EDS) and UV-Vis molecular absorption spectroscopy. The results showed that the particle sizes of La/Bi co-doped NaTaO 3 were smaller than that of the pure NaTaO 3 . La/Bi co-doping has extended optical absorption in the visible light region and then successfully increased photocatalytic activity of the La/Bi-codoped NaTaO 3 that were evaluated by degradation of methylene blue (MB).

show abstract

Section: Powder X-ray Diffraction Analysismentioning

confidence: 71%

Hydrothermal Synthesis, Structure and Photocatalytic Properties of La/Bi Co-Doped NaTaO<sub>3</sub>

Lan¹,

Phan²,

Hoàng³

et al. 2016

Mater. Trans.

View full text Add to dashboard Cite

show abstract

“…This contradiction may result from the fact that phonon absorption is involved in the interband transition process. It was suggested that the intensity of phonon absorption increases as the Ta−O−Ta bond angle in NaTaO 3 approaches 180° 31,32,53 . On the other hand, the absorption edge energy has been shown to depend on crystallite size for small semiconductor particles 49 .…”

Section: Resultsmentioning

confidence: 99%

Structure Characterization and Tuning of Perovskite‐Like NaTaO₃ for Applications in Photoluminescence and Photocatalysis

Tsai

Teng

2009

Journal of the American Ceramic Society

View full text Add to dashboard Cite

Perovskite‐like NaTaO3 powders have potential applications in photoluminescence and photocatalysis. Sol–gel, hydrothermal and solid‐state methods were used to synthesize NaTaO3 powders of different crystalline structures, which were identified by Rietveld refinement simulation of X‐ray diffraction patterns and transmission electron microscopic diffraction. The refinement results show that the sol–gel specimen has a monoclinic phase with a Ta−O−Ta bond angle of 179° while the hydrothermal and solid‐state specimens have an orthorhombic phase with bond angles of 163° and 157°, respectively. By excitation with a 304 nm light source, these NaTaO3 specimens show photoluminescence emission at ca. 450 nm. The photoluminescence intensity of the specimens had an order solid state >hydrothermal >sol–gel, which is opposite to that of the Ta−O−Ta bond angle. On the other hand, the photocatalytic activity of the NaTaO3 specimens in water splitting showed the same order as that of the Ta−O−Ta bond angle. This paper directly evidenced that the Ta−O−Ta bond angle affects the separation rate of the photo‐induced charges, as well as that structure tuning of tantalates is achievable and crucial for applications in photoluminescence and photocatalysis.

show abstract

“…These values are in a good agreement with previous band structure calculations. 20,24,25 We model the NTO/STO heterostructure by means of the supercell approach, using the average value of the experimental lattice constants of STO and NTO (i.e., a)…”

mentioning

confidence: 99%

High charge carrier density at the NaTaO3/SrTiO3 hetero-interface

Nazir

Schwingenschlögl

2011

Applied Physics Letters

View full text Add to dashboard Cite

The formation of a (quasi) two-dimensional electron gas between the band insulators NaTaO3 and SrTiO3 is studied by means of the full-potential linearized augmented plane-wave method of density functional theory. Optimization of the atomic positions points to only small changes in the chemical bonding at the interface. Both the p-type (NaO)−/(TiO2)0 and n-type (TaO2)+/(SrO)0 interfaces are found to be metallic with high charge carrier densities. The effects of O vacancies are discussed. Spin-polarized calculations point to the formation of isolated O 2p magnetic moments, located in the metallic region of the p-type interface.

show abstract

Electron structure and optical absorption properties of cubic and orthorhombic NaTaO3 by density functional theory

Cited by 48 publications

References 19 publications

Hydrothermal Synthesis, Structure and Photocatalytic Properties of La/Bi Co-Doped NaTaO<sub>3</sub>

Hydrothermal Synthesis, Structure and Photocatalytic Properties of La/Bi Co-Doped NaTaO<sub>3</sub>

Structure Characterization and Tuning of Perovskite‐Like NaTaO₃ for Applications in Photoluminescence and Photocatalysis

High charge carrier density at the NaTaO3/SrTiO3 hetero-interface

Contact Info

Product

Resources

About

Electron structure and optical absorption properties of cubic and orthorhombic NaTaO3 by density functional theory

Cited by 48 publications

References 19 publications

Hydrothermal Synthesis, Structure and Photocatalytic Properties of La/Bi Co-Doped NaTaO<sub>3</sub>

Hydrothermal Synthesis, Structure and Photocatalytic Properties of La/Bi Co-Doped NaTaO<sub>3</sub>

Structure Characterization and Tuning of Perovskite‐Like NaTaO3 for Applications in Photoluminescence and Photocatalysis

High charge carrier density at the NaTaO3/SrTiO3 hetero-interface

Contact Info

Product

Resources

About

Structure Characterization and Tuning of Perovskite‐Like NaTaO₃ for Applications in Photoluminescence and Photocatalysis