Untitled

Скориков, В. М.; Zakharov, I. S.; Волков, В. В.; Spirin, E. A.; Umrikhin, V. V.

doi:10.1023/a:1012597025848

Cited by 12 publications

(7 citation statements)

References 5 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…29 In the present work, we chose one of the various Bi 4 Ti 3 O 12 structures reported in ref 29 and our theoretical results are consistent with those reported in previous work. 30 Furthermore, our previous studies indicate that the calculated band gaps for anatase and rutile TiO 2 are 2.10 and 1.89 eV, which are underestimated compared with the experimental values of 3.2 and 3.0 eV, [31][32][33][34] respectively. The underestimation mainly results from the well-known shortcoming of exchange-correction function in describing excited states in the DFT calculation.…”

Section: Electronic Structures Of Btomentioning

confidence: 95%

See 1 more Smart Citation

First-Principles Characterization of Bi-based Photocatalysts: Bi₁₂TiO₂₀, Bi₂Ti₂O₇, and Bi₄Ti₃O₁₂

2009

View full text Add to dashboard Cite

The geometric, electronic, and optical properties of three Bi-based structures (Bi 12 TiO 20 , Bi 2 Ti 2 O 7 , and Bi 4 Ti 3 O 12 ) with and without C and N doping as possible photocatalytic material were investigated systemically by means of the first-principles DFT calculations within the GGA scheme to explore the origin of different band gaps and high photocatalytic activity under visible light observed in experiment. Our calculated results illuminate that BTO structures show an indirect band gap characteristic and the actual band gaps of BTO structures should be wider than 3.0 eV except for Bi 4 Ti 3 O 12 . C and N elements can be very easily introduced into the BTO lattices during the sample preparation process according to the very small defect formation energies, and the unintentional C or N doping may be responseble for the observed different band gaps and the high photocatalytic activity under visible light. Accordingly, it can be predicted that nonmetal element doping of BTO structures may improve photocatalytic activity under visible light and can be an excellent candidate for TiO 2.

show abstract

Section: Electronic Structures Of Btomentioning

confidence: 95%

“… h reference . The theoretical values are the calculated direct band gaps of the BTO structures at Γ point and those in parentheses are the indirect band gaps. …”

Section: Electronic Structures Of Btomentioning

confidence: 99%

First-Principles Characterization of Bi-based Photocatalysts: Bi₁₂TiO₂₀, Bi₂Ti₂O₇, and Bi₄Ti₃O₁₂

2009

View full text Add to dashboard Cite

show abstract

“…In the experiments, the photon energy of the incident light pulses (3.1 eV) was smaller than the band gaps of both BSO (3.25 eV [10]) and BTO (3.2 eV [11]) crystals. It means that in our case free charge carriers are excited owing to transitions between localized states in the band gap and extended states in the conduction or valence band (impurityband transitions).…”

Section: Origin Of the Lpg Current In Sillenitesmentioning

confidence: 98%

Linear photogalvanic current excited in sillenite crystals by femtosecond laser pulses

et al. 2011

View full text Add to dashboard Cite

We observe electric pulses generated in sillenite crystals (Bi 12 SiO 20 and Bi 12 TiO 20 ) by 100-fs laser pulses at the wavelength of 400 nm (below the band gaps of both crystals). The peak value of the current pulses scales linearly with the intensity of laser pulses up to ∼45 GW/cm 2 . The direction of the induced current depends on the polarization state of the laser pulse. This polarization dependence and features of the current detection via charge accumulation at the sample electrodes allow us to conclude that the electric pulses are generated due to the linear photogalvanic effect.

show abstract

“…Recently, superlattice films grown using LaCoO 3 and Bi 4 Ti 3 O 12 (BiT) can be one approach to systematically lowering the band gap of the materials [12]. In addition, a series of oxygen vacancy doping induced band-gap narrowing and enhanced the visible light activity of bismuth titanate [14][15]. One study reported that oxygen vacancies readily form in the Aurivillius structure without compromising the ferroelectricity [16].…”

Section: Introductionmentioning

confidence: 99%

Control of Optical Band Gap in La Doped Bismuth Titanate with Two Stage Doping

Han

Bark

2014

Molecular Crystals and Liquid Crystals

View full text Add to dashboard Cite

The wide band gap of complex oxides is one of the major obstacles limiting their use in photovoltaic cells. To tune the band gap of complex oxides, this study examined the effects of chemical/oxygen vacancy doping on Bi 4 Ti 3 O 12 based oxides synthesized using a solid reaction method. The structural, optical and electrical properties of the synthesized powers were determined by x-ray diffraction, scanning electron microscopy, ultravioletvisible spectroscopy, and resistant measurements. Both types of doping, chemical doping and oxygen doping, could affect the tunability of the band gap. On the other hand, the decrease in band gap from oxygen vacancy doping was much more significant in the chemical doped sample than in the sample without chemical doping. Two stage doping, which combined chemical and oxygen vacancy doping, of La doped bismuth titanate reduced the band gap of La doped bismuth titanate from 2.75eV to 1.2eV without breaking symmetry.

show abstract

Untitled

Cited by 12 publications

References 5 publications

First-Principles Characterization of Bi-based Photocatalysts: Bi₁₂TiO₂₀, Bi₂Ti₂O₇, and Bi₄Ti₃O₁₂

First-Principles Characterization of Bi-based Photocatalysts: Bi₁₂TiO₂₀, Bi₂Ti₂O₇, and Bi₄Ti₃O₁₂

Linear photogalvanic current excited in sillenite crystals by femtosecond laser pulses

Control of Optical Band Gap in La Doped Bismuth Titanate with Two Stage Doping

Contact Info

Product

Resources

About

Untitled

Cited by 12 publications

References 5 publications

First-Principles Characterization of Bi-based Photocatalysts: Bi12TiO20, Bi2Ti2O7, and Bi4Ti3O12

First-Principles Characterization of Bi-based Photocatalysts: Bi12TiO20, Bi2Ti2O7, and Bi4Ti3O12

Linear photogalvanic current excited in sillenite crystals by femtosecond laser pulses

Control of Optical Band Gap in La Doped Bismuth Titanate with Two Stage Doping

Contact Info

Product

Resources

About

First-Principles Characterization of Bi-based Photocatalysts: Bi₁₂TiO₂₀, Bi₂Ti₂O₇, and Bi₄Ti₃O₁₂

First-Principles Characterization of Bi-based Photocatalysts: Bi₁₂TiO₂₀, Bi₂Ti₂O₇, and Bi₄Ti₃O₁₂