Investigation of the physico-chemical properties of Sr2FeNb1−x W x O6 (0.0 ≤ x ≤ 0.1) for visible-light photocatalytic water-splitting applications

Borse, Pramod H.; Lim, Kwon Taek; Yoon, Joong-Han; Bae, Jong‐Sup; Ha, Myoung Gyu; Chung, Eun Hyuk; Jeong, Euh Duck; Kim, H. G.

doi:10.3938/jkps.64.295

Cited by 14 publications

(5 citation statements)

References 15 publications

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“…The valence-band maximum (VBM) is at R point, while the conduction-band minimum (CBM) is located at Γ point; therefore, the ground-state gap is indirect (figure 4(g)). The E g at zero GPa is 2.06 eV; which agrees with the previously reported [2,3].…”

Section: Mechanical Properties Under Pressuresupporting

confidence: 92%

“…The double perovskite Sr 2 FeNbO 6 compound is an antiferromagnetic (T Néel around 35 K) and semiconductor material with an energy band gap (E g ) around 2 eV [1][2][3].…”

Section: Introductionmentioning

confidence: 99%

“…Because of these characteristics, it is considered as a compound with high potential to be used: (i) for hydrogen generation, as photocatalyst [2][3][4][5]; (ii) for solar cells, which performance is improved by making Ti substitutions at Fe sites [6]; (iii) in solid oxide fuel cells (SOFC), as cathode [7][8][9][10]. Besides, it has been shown that the compound is stable in a reducing atmosphere; therefore, it could be considered as anode for SOFC [4] and consequently could be proposed for symmetric SOFC.…”

Section: Introductionmentioning

confidence: 99%

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LDA+U study of hydrostatic pressure effect on double perovskite Sr₂FeNbO₆: crystal structure, mechanical and electronic properties

et al. 2020

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To study the effect of the applied hydrostatic pressure on the crystal structure and the electronic and mechanical properties of the Sr2FeNbO6 compound, computational calculations in the density functional theory framework, with the local density approximation and Hubbard correction as it is treated by the CA-PZ exchange-correlation functional were performed. The tetragonal structure with the I4/m space group is reported stable in the range from zero to 50 GPa according to Born’s stability criterion. No crystal phase transition was found in agreement with experimental data; however, between 20 and 30 GPa, a brittle to ductile transition is confirmed by the Pugh’s criterion and Poisson’s ratio. Moreover, a change from ionic-covalent to metallic bonding is suggested by the Poisson’s ratio. This behavior is reflected in the electronic properties, through the controlled modulation of the energy bandgap (Eg (eV)) as a function of pressure, according to a fitted linear equation, Eg = (−0.016)P + 2.040. At 50 GPa, Eg value is 1.236 eV, very close to the ideal 1.34 eV, which is required for hydrogen generation and photovoltaic applications.

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Section: Mechanical Properties Under Pressuresupporting

confidence: 92%

“…The double perovskite Sr 2 FeNbO 6 compound is an antiferromagnetic (T Néel around 35 K) and semiconductor material with an energy band gap (E g ) around 2 eV [1][2][3].…”

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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LDA+U study of hydrostatic pressure effect on double perovskite Sr₂FeNbO₆: crystal structure, mechanical and electronic properties

et al. 2020

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“…A total of 28.5 µmol·h −1 and 650 µmol·h −1 were reported in presence of sacrificial agents and with 0.2% Pt as co-catalyst [121]. W doping in Sr 2 FeNbO 6 has also been studied and demonstrated enhancement to hydrogen evolution under visible radiation [122].…”

Section: Complex Perovskite Materialsmentioning

confidence: 99%

A Review on Visible Light Active Perovskite-Based Photocatalysts

2014

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Abstract:Perovskite-based photocatalysts are of significant interest in the field of photocatalysis. To date, several perovskite material systems have been developed and their applications in visible light photocatalysis studied. This article provides a review of the visible light (λ > 400 nm) active perovskite-based photocatalyst systems. The materials systems are classified by the B site cations and their crystal structure, optical properties, electronic structure, and photocatalytic performance are reviewed in detail. Titanates, tantalates, niobates, vanadates, and ferrites form important photocatalysts which show promise in visible light-driven photoreactions. Along with simple perovskite (ABO3) structures, development of double/complex perovskites that are active under visible light is also reviewed. Various strategies employed for enhancing the photocatalytic performance have been discussed, emphasizing the specific advantages and challenges offered by perovskite-based photocatalysts. This review provides a broad overview of the perovskite photocatalysts, summarizing the current state of the work and offering useful insights for their future development.

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“…Some researchers have reported that doping with transition metal ions such as rhodium, chromium, vanadium and tungsten results in the red shi of the light absorption of perovskite-type compounds to the visible light region. [24][25][26][27] For instance, Kim et al 28 have found that the W-doped Sr 2 FeNbO 6 showed a photocatalytic quantum yield two times higher than that of the pristine sample under visible light irradiation. A similar conclusion was arrived at from La 2 Ti 2 O 7 perovskite nanosheets with a narrow band gap aer Ni doping.…”

Section: Introductionmentioning

confidence: 99%

Enhanced photocatalytic oxygen evolution over Mo-doped Ca₂NiWO₆ perovskite photocatalyst under visible light irradiation

et al. 2017

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To study the effect of partial Ba 2?-to-Sr 2? and/ or Ta 5?-toW 4-6? substitution on various properties of SrW(O,N) 3 , cubic perovskite-type W-and/or Ta-based oxynitrides Sr 1-x Ba x W 1-y Ta y (O,N) 3 , where x,y = 0,0; 0.25,0; 0.125,0.125; 0,0.25; and 1.1, were synthesized by ammonolyzing their corresponding oxide precursors under an NH 3 flow. The synthesized oxynitrides have highly porous structures and consist of small crystallites in the range of 53-630 nm and with specific surface areas in the range of 5.4-14.7 m 2 Ág-1. Interestingly, the Ta 5?-toW 4*6? substitution in SrW(O,N) 3 can suppress the formation of reduced tungsten species during thermal ammonolysis. The weaker absorptions beyond 560 and 580 nm in the UV-Vis diffuse reflectance spectra, which correspond to reduced tungsten species, are observed in SrW 0.75 Ta 0.25 (O,N) 3 and Sr 0.875 Ba 0.125 W 0.875 Ta 0.125 (O,N) 3 compared to SrW(O,N) 3 and Sr 0.75 Ba 0.25 W(O,N) 3. The XPS results reveal that low-valent transition metal oxides, nitrides, and oxynitrides and/or tungsten metal are present on the surfaces of the as-synthesized oxynitrides. After 5 h of the photocatalytic oxygen evolution reaction, CoO x-loaded SrW 0.75 Ta 0.25 (O,N) 3 exhibited the highest amount of evolved O 2 gas due to its higher specific surface area and lower concentration of intrinsic defects. During the pho-tocatalytic reaction, the N 2 gas is also evolved because of the self-oxidation of oxynitrides consuming photo-generated holes. The estimated TONs of the oxynitride samples exceeded one, evidencing that the observed O 2 gas evolution reactions were catalytic. Accordingly, the photosta-bility enhancement of oxynitrides reduces the loss of photo-generated charge carriers and increases their photo-catalytic activity. Graphical abstract

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Investigation of the physico-chemical properties of Sr2FeNb1−x W x O6 (0.0 ≤ x ≤ 0.1) for visible-light photocatalytic water-splitting applications

Cited by 14 publications

References 15 publications

LDA+U study of hydrostatic pressure effect on double perovskite Sr₂FeNbO₆: crystal structure, mechanical and electronic properties

LDA+U study of hydrostatic pressure effect on double perovskite Sr₂FeNbO₆: crystal structure, mechanical and electronic properties

A Review on Visible Light Active Perovskite-Based Photocatalysts

Enhanced photocatalytic oxygen evolution over Mo-doped Ca₂NiWO₆ perovskite photocatalyst under visible light irradiation

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Investigation of the physico-chemical properties of Sr2FeNb1−x W x O6 (0.0 ≤ x ≤ 0.1) for visible-light photocatalytic water-splitting applications

Cited by 14 publications

References 15 publications

LDA+U study of hydrostatic pressure effect on double perovskite Sr2FeNbO6: crystal structure, mechanical and electronic properties

LDA+U study of hydrostatic pressure effect on double perovskite Sr2FeNbO6: crystal structure, mechanical and electronic properties

A Review on Visible Light Active Perovskite-Based Photocatalysts

Enhanced photocatalytic oxygen evolution over Mo-doped Ca2NiWO6 perovskite photocatalyst under visible light irradiation

Contact Info

Product

Resources

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LDA+U study of hydrostatic pressure effect on double perovskite Sr₂FeNbO₆: crystal structure, mechanical and electronic properties

LDA+U study of hydrostatic pressure effect on double perovskite Sr₂FeNbO₆: crystal structure, mechanical and electronic properties

Enhanced photocatalytic oxygen evolution over Mo-doped Ca₂NiWO₆ perovskite photocatalyst under visible light irradiation