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Zirconium Trisulfide (ZrS3) Powder and Crystal

CAS Number 12166-31-3

2D Semiconductor Materials, Low Dimensional Materials

Product Code M2203C1-1g
Price $438 ex. VAT

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Low price, high purity ZrS3 powder and crystals

For the development of perovskite devices, electronics and optoelectronics

Zirconium trisulfide (ZrS3) is a typical representative of layered transition metal trichalcogenides (TMTCs).

ZrS3 is an indirect gap semiconductor as its bulk and its monolayer undergoes an indirect to direct band gap transition with increasing tensile strain. ZrS3 layers possess a pseudo one-dimensional nature where each layer consists of ZrS3 chains extending along the b-lattice direction. The optical properties of few-layer zirconium trisulfide has been demonstrated to be highly anisotropic as shown by large photoluminescence (PL) intensity variation with the polarization direction along the chain.

High Purity 12166-31-3

High Purity

>99.999% Zirconium Trisulfide Crystal Purity

Different Forms of 12166-31-3

Powder & Crystal

Different Forms of Zirconium Trisulfide

Low Cost 12166-31-3

Low Cost

Low Cost Zirconium Trisulfide

Applications of 12166-31-3


Development of perovskite devices, electronics and optoelectronics

We supply zirconium trisulfide in both powdered and crystal forms.

Zirconium trisulfide powder

Zirconium Trisulfide Powder

Can be used for preparation of zirconium trisulfide nanoplates and ultrathin films

Available in quantities of 1 g

≥99.995% purity

From £350

Zirconium trisulfide crystals by size

Zirconium Trisulfide Crystals by Size

Can be used to produce single or few-layer zirconium trisulfide sheets via mechanical or liquid exfoliation

Small (≥10 mm2) or medium (≥25 mm2) crystals available*

≥99.999% purity

From £520

*Typical representative size, areas/dimensions may vary.

Bulk single zirconium trisulfide crystals are most commonly used as sources from which single or few-layer sheets can be obtained via either mechanical or liquid exfoliation. Single zirconium trisulfide crystal or films produced from such crystals are suitable for study using atomic force microscopy or transmission electron microscopy

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Few-layer ZrS3 nanosheets and nanoparticles can also obtained from zirconium trisulfide powder by liquid-exfoliation.

Key Product Data

Structure of Zirconium Trisulfide

Zirconium trisulfide (ZrS3) belongs to the low-symmetry crystals system with monoclinic structure. ZrS3 layers possess a pseudo one-dimensional nature where each layer consists of ZrS3 chains extending along the b-lattice direction.

ZrSmay be better described by ionic model as Zr4+(S2)2-S2-. A basic structural fragment prism {ZrS6/2} is constructed from two disulfide (S‒S)2- groups as well as two sulfide groups S2- with Zr atom situated near the centre of the prism. Such prisms with metal atoms situated close to the prism centres are connected to each other via common triangle bases to form infinite columns. This leads to strong anisotropic behaviour that offers additional advantages over isotropic 2D systems.

zirconium trisulfide crystal structure
The crystal structure of single-layer zirconium trisulfide (ZrS3)

Properties of Zirconium Trisulfide

After exfoliation of zirconium trisulfide crystals or powder, zirconium trisulfide typically has the following properties:

  • ‎Monoclinic (space group: P21/m)
  • ZrS3 monolayer undergoes an indirect to direct band gap transition with increasing tensile strain
  • Highly anisotropic
  • Transition metal trichalcogenides (TMTCs)

See the properties tab for more details.

Applications of Zirconium Trisulfide

Zirconium trisulfide (ZrS3) single crystals can be used to prepare monolayer and few-layer ZrS3 by mechanical or liquid exfoliation. In its powdered form, it is suitable for liquid chemical exfoliation to prepare ZrS3 nanosheets and nanoparticles down to few-layer films.

Zirconium trisulfide is a promising candidate for thermal batteries and used as hole transporting layer in perovskite solar cells and perovskite light-emitting diodes. The high anisotropy in the light absorption of ZrS3 monolayer makes it a potential candidate for the design and applications in electronics such as in-plane anisotropic FETs, optoelectronics such as polarization-sensitive photodetectors and thermoelectric, piezoelectric, and ferroelectric devices.

ZrS3 Processing

Viscoelastic transfer using PDMS

Literature and Reviews

  • Single layer of MX3 (M=Ti, Zr; X=S, Se, Te): a new platform for nano-electronics and optics, Y. Jin et al., Phys. Chem. Chem. Phys., 17, 18665-18669 (2015); DOI: 10.1039/C5CP02813B.
  • Strong dichroic emission in the pseudo one dimensional material ZrS3, A. Pant et al., Nanoscale, 8, 16259 (2016); DOI: 10.1039/c6nr05238j.
  • Angle resolved vibrational properties of anisotropic transition metal trichalcogenide nanosheets, W. Kong et al., Nanoscale, 9, 4175 (2017); DOI: 10.1039/c7nr00711f.
  • Enhanced ultraviolet-visible light responses of phototransistors based on individual and few ZrS3 nanobelts, Y. Tao et al., Nanoscale, 7(34), 14292-14298 (2015); doi: 10.1039/c5nr03589a.
  • Tuning the electronic properties of transition-metal trichalcogenides via tensile strain, M. Li et al., Nanoscale, 7, 15385 (2015); DOI: 10.1039/c5nr04505c.
  • Electronics and optoelectronics of quasi-one dimensional layered transition metal trichalcogenides, J. Island et al., 2D Mater., 4 0220033 (2017); DOI: 10.1088/2053-1583/aa6ca6.
  • Photodecoloration of Methyl Orange Solution Assisted by ZrS3 Powders, S. Artemkina et al., ASTESJ 4, 165-170 (2019); DOI: 10.25046/aj040116.

Technical Data

CAS Number ‎12166-31-3
Chemical Formula ZrS3
Molecular Weight 187.42 g/mol
Bandgap 1.90 eV [1]
Preparation Synthetic - Chemical Vapour Transport (CVT)
Structure ‎Monoclinic
Electronic Properties 2D semiconductor
Melting Point ‎1020 °C (lit.)
Colour Red brown
Synonyms Zirconium trisulphide
Classification / Family Transition metal trichalcogenides (TMTCs), 2D semiconductor materials, Nano-electronics, Nano-photonics, Photovoltaic, Materials science

Product Details

Form Purity
Powder ≥99.995%
Crystal ≥99.999%

MSDS Documents

Zirconium trisulfide powder MSDSZirconium trisulfide powder

Zirconium trisulfide crystal MSDSZirconium trisulfide crystal

Pricing Table

Product Code Form Size/Weight* Price
M2203C1 Powder 1 g £350
M2203A10 Crystal Small (≥10 mm2) £520 ea.
M2203A25 Crystal Medium (≥25 mm2) £850 ea.

*typical representative size, areas/dimensions may vary

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To the best of our knowledge the information provided here is accurate. The values provided are typical at the time of manufacture and may vary over time and from batch to batch. Products may have minor cosmetic differences (e.g. to the branding) compared to the photos on our website. All products are for laboratory and research and development use only.

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