Sn2SiS4, synthesis, structure, optical and electronic properties

Li, Chao; Lin, Zhidan; Kang, Lei; Lin, Zheshuai; Huang, Hongwei; Yao, Jiyong; Wu, Yicheng

doi:10.1016/j.optmat.2015.06.008

Cited by 14 publications

(10 citation statements)

References 42 publications

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“…On the contrary, quantitative analysis based on the Langmuir−Hinshelwood kinetic formula 50 shows that the photocatalytic activity of CdSnSX 2 (X = Cl or Br) is 7.0 times higher than that of TiO 2−x N x . Similar photocatalytic properties were found in some other inorganic chalcogenides, such as Ba 2 AsGaSe 5 (∼80% of the dye degraded after 150 min), 46 Sn 2 SiS 4 (∼80% of the dye degraded after 120 min), 47 and Cs 2 Ge 3 In 6 Se 14 (∼75% of the dye degraded after 40 min). 51 As is well-known, the photocatalytic activity depends mostly on the separation and diffusion rate of the photogenerated charge carriers, which can be obtained by calculating the relative effective masses of electrons and holes (m e * and m h *, respectively) according to the states of the VBT and CBB in the electronic structure of CdSnSX 2 (X = Cl or Br).…”

Section: ■ Results and Discussionsupporting

confidence: 77%

“…Furthermore, inspired by the research that has shown that many SACLP-containing chalcogenides exhibit interesting photocatalytic activities, − we studied the photocatalytic performance of CdSnSX 2 . As shown in Figure , both CdSnSCl 2 and CdSnSBr 2 displayed outstanding photocatalytic efficiency for RhB degradation and degraded >80% of the original dye after 120 min, which is better than that of TiO 2– x N x under the same measurement conditions.…”

Section: Resultsmentioning

confidence: 99%

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Quaternary Chalcohalides CdSnSX₂ (X = Cl or Br) with Neutral Layers: Syntheses, Structures, and Photocatalytic Properties

et al. 2021

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Inorganic chalcohalides are attracting a tremendous amount of attention because of their remarkable structural variety and desirable physical properties. Although great advances have been made in recent years, functional inorganic chalcohalides with two-dimensional neutral layers are still rare. Herein, two novel chalcohalides CdSnSX 2 (X = Cl or Br) with high yields were obtained by reacting CdX 2 with SnS using a traditional solid-state method at 823 K. Both of these chalcohalides adopt orthorhombic space group Cmcm (No. 63) with the following structural values: a = 4.014(4)−4.064(2) Å, b = 12.996(2)−13.746(3) Å, c = 9.471(2)−9.621(2) Å, V = 494.1(8)−537.5(2) Å 3 , and Z = 4. The prominent architectural feature is the unique two-dimensional [CdSnSX 2 ] neutral layer consisting of composite [CdX 2 ] and [SnS] sublattices that are connected alternately through the Cd−S−Sn bonds along the ac plane. The [CdX 2 ] sublattice consists of a single octahedral chain of Cd-centered [CdX 4S 2 ] groups sharing cis-X edges, while the [SnS] sublattice consists of a bend-shaped chain of unusual [SnS 2 X 2 ] units sharing vertices of S atoms. Significantly, each CdSnSX 2 form (X = Cl or Br) shows high visible-light-induced photocatalytic activity for rhodamine B degradation, which is ∼7.0 times higher than that of nitrogen-doped TiO 2 (TiO 2−x N x ) under the same experimental conditions. This discovery enriches the categories of inorganic chalcohalides and provides more choices of candidate materials for photocatalytic applications.

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Section: ■ Results and Discussionsupporting

confidence: 77%

Section: Resultsmentioning

confidence: 99%

Quaternary Chalcohalides CdSnSX₂ (X = Cl or Br) with Neutral Layers: Syntheses, Structures, and Photocatalytic Properties

et al. 2021

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“…However, the reports about such a 1D ∞ 1 [Sn 2 S 6 8– ] chain are extremely rare and limited only to BaSnS 2 . Each Sn atom is coordinated with four S atoms with the Sn–S distance ranging from 2.636(4) to 3.157(6) Å, which is in line with those of 2.639–3.185 Å in Sn 2 SiS 4 and 2.707–3.242 Å in SnGa 2 GeS 6 . Moreover, taking the coordination geometry of Sn2 atom as an example, the crystal orbital Hamilton populations (COHP) and integrated COHP (ICOHP) curves were performed to discuss the Sn–S bonding. As revealed in Figure d, positive and negative numbers in the −COHP curve represent bonding and antibonding states, respectively.…”

Section: Resultsmentioning

confidence: 60%

Sn₂Ga₂S₅: A Polar Semiconductor with Exceptional Infrared Nonlinear Optical Properties Originating from the Combined Effect of Mixed Asymmetric Building Motifs

Li²,

Lin³

et al. 2019

Chem. Mater.

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Noncentrosymmetric (NCS) metal-chalcogenides have emerged as a candidate for infrared nonlinear optical (IR-NLO) materials, but it remains an enormous challenge to achieve simultaneously a large second-harmonic-generation (SHG) coefficient (d ij ), strong laser-induced damage threshold (LIDT), wide phase-matching (PM) range, and low melting point (MP) in a single material. Herein, a novel ternary mixed-metal chalcogenide, Sn2Ga2S5, was prepared via a facile mid-temperature fluxing method. It adopts a polar space group Pna21 (no. 33) and shows a distinctive 3D NCS network made by ∞ 2[Ga2S5 4–] layers and ∞ 1[Sn2S6 8–] chains via the sharing of common corners. Significantly, Sn2Ga2S5 exhibits an excellent comprehensive performance for IR-NLO applications that surpasses the current benchmark of AgGaS2, including a strong SHG response d ij (2.5 × AgGaS2), high LIDT (6.6 × AgGaS2), wide PM range (>725 nm), broad transparent region (0.57–13.8 μm), and low MP (ca. 958 K). Furthermore, the detailed theoretical calculation results elucidate that the strong d ij of Sn2Ga2S5 can be ascribed to the combined effect of two asymmetric building motifs (ABMs), that is, dimeric [Sn2S6] and [Ga2S5] units. Such a systematic work would provide some useful guidance for the prediction and discovery of new IR-NLO chalcogenides with mixed ABMs.

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“…24 Compared with oxides, they possess smaller band gaps and may provide an enormous playground for searching new broad-light-sensitive photocatalysts. 25,26 Guided by above strategies, we focused our main attention on the noble metal-based chalcogenides system and successfully discovered a novel Au-based ternary sulfide BaAu 2 S 2 . Our experimental measurements indicate that this intrinsic photocatalyst possesses excellent photocatalytic capability under visible-light irradiation, even superior to the benchmark visible-light-responsive photocatalyst graphitic carbon nitride (g-C 3 N 4 ).…”

Section: ■ Introductionmentioning

confidence: 99%

“…As a large class of compounds, chalcogenides, have complex and interesting structures and physical/chemical properties, − and they have already made significant impact in energy applications as intriguing photovoltaic materials, such as CuInGaSe 2 (CIGS) and Cu 2 ZnSnS 4 (CZTS) . Compared with oxides, they possess smaller band gaps and may provide an enormous playground for searching new broad-light-sensitive photocatalysts. , …”

Section: Introductionmentioning

confidence: 99%

BaAu₂S₂: A Au-Based Intrinsic Photocatalyst for High-Performance Visible-Light Photocatalysis

Zhou

Jiang

et al. 2017

Inorg. Chem.

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A new Au-based sulfide BaAuS was obtained through solid-state reaction. It crystallizes in the tetragonal space group I4/amd with unit cell parameters of a = 6.389 72(2) Å, b = 6.389 72(2) Å, c = 12.7872(1) Å, and Z = 4. Its structure features [AuS] zigzag chains composed of corner-sharing AuS linear units. With a direct band gap of 2.49 eV, BaAuS is suitable for the visible-light harvesting. Moreover, it exhibits excellent visible-light photocatalytic activity, which is 1.3 times that of graphitic carbon nitride (g-CN) and also demonstrates excellent circulating stability. On the basis of the crystal and electronic structure analysis, the electrons are highly delocalized along the [AuS] chains, and the electron effective mass of BaAuS is only approximately one-fifth of that of g-CN, which may help the separation of the electron/hole pairs during the photocatalytic process. Additionally, the absorption coefficient of BaAuS is extremely high, exceeding 1 × 10 cm over the entire absorbable visible spectrum (hν > E), which is significantly higher than that of g-CN. Such factors may contribute to its outstanding photocatalytic performances. According to our best knowledge, BaAuS is the first noble metal-based chalcogenide photocatalyst reported as intrinsic light-harvesting and electron/hole-generating centers. This study may provide valuable insights for further research on photocatalytic materials.

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Sn2SiS4, synthesis, structure, optical and electronic properties

Cited by 14 publications

References 42 publications

Quaternary Chalcohalides CdSnSX₂ (X = Cl or Br) with Neutral Layers: Syntheses, Structures, and Photocatalytic Properties

Quaternary Chalcohalides CdSnSX₂ (X = Cl or Br) with Neutral Layers: Syntheses, Structures, and Photocatalytic Properties

Sn₂Ga₂S₅: A Polar Semiconductor with Exceptional Infrared Nonlinear Optical Properties Originating from the Combined Effect of Mixed Asymmetric Building Motifs

BaAu₂S₂: A Au-Based Intrinsic Photocatalyst for High-Performance Visible-Light Photocatalysis

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Sn2SiS4, synthesis, structure, optical and electronic properties

Cited by 14 publications

References 42 publications

Quaternary Chalcohalides CdSnSX2 (X = Cl or Br) with Neutral Layers: Syntheses, Structures, and Photocatalytic Properties

Quaternary Chalcohalides CdSnSX2 (X = Cl or Br) with Neutral Layers: Syntheses, Structures, and Photocatalytic Properties

Sn2Ga2S5: A Polar Semiconductor with Exceptional Infrared Nonlinear Optical Properties Originating from the Combined Effect of Mixed Asymmetric Building Motifs

BaAu2S2: A Au-Based Intrinsic Photocatalyst for High-Performance Visible-Light Photocatalysis

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Quaternary Chalcohalides CdSnSX₂ (X = Cl or Br) with Neutral Layers: Syntheses, Structures, and Photocatalytic Properties

Quaternary Chalcohalides CdSnSX₂ (X = Cl or Br) with Neutral Layers: Syntheses, Structures, and Photocatalytic Properties

Sn₂Ga₂S₅: A Polar Semiconductor with Exceptional Infrared Nonlinear Optical Properties Originating from the Combined Effect of Mixed Asymmetric Building Motifs

BaAu₂S₂: A Au-Based Intrinsic Photocatalyst for High-Performance Visible-Light Photocatalysis