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Zirconium Triselenide (ZrSe3) Powders and Crystals

CAS Number 12166-53-9

2D Semiconductor Materials, Low Dimensional Materials

Product Code M2204C1-1g
Price $438 ex. VAT

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Low price, high purity 2D zirconium triselenide  powder and crystals

For the development of next-generation electronics, optoelectronics, and nanotechnology

Zirconium triselenide (ZrSe3) belongs to the IVB layered transition metal trichalcogenides (TMTCs).

ZrSe3 has a chain-like structure and crystallises in the monoclinic space group P21/m. Each zirconium atom at the centre is coordinated to six parallel arranged selenide atoms forming distorted trigonal prisms.

ZrSe3 is a n-type characteristic semiconductor with an indirect bandgap of 1.1 eV and a direct bandgap of 1.47 eV.  The indirect bandgap of ZrSe3 monolayers increases with the tensile strain, but the indirect character is retained in most cases.

High Purity 12166-53-9

High Purity

>99.999% Zirconium Triselenide Crystal Purity

Different Forms of Zirconium Triselenide

Powder & Crystal

Different Forms of Zirconium Triselenide

Low Cost 12166-53-9

Low Cost

Low Cost Zirconium Triselenide

n-type semiconductor


N-type semiconductor

We supply zirconium triselenide in both powdered and crystal forms.

Zirconium triselenide powder

Zirconium Triselenide Powder

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

Available in quantities of 1 g

≥99.995% purity

From £350

Zirconium triselenide crystals by size

Zirconium Triselenide Crystals by Size

Can be used to produce single or few-layer zirconium triselenide 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 triselenide crystal is most commonly used as sources from which single or few-layer sheets can be obtained via either mechanical or liquid exfoliation. Single zirconium triselenide 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 ZrSe3 nanosheets and nanoparticles can also obtained from zirconium triselenide powder by liquid-exfoliation.

Key Product Data

Structure of Zirconium Triselenide

Like the crystal structure of ZrS3, ZrSe3 has a chain-like structure belonging to the space group P21/m. Each zirconium atom at the centre is coordinated to six parallel arranged selenide atoms forming distorted trigonal prisms.

Better described by ionic model as Zr4+(Se2)2-Se2-, there are two types of Se atoms in the crystal system. Shown in the crystal structure below, a basic structural fragment prism {ZrSe6/2} is constructed from two diselenide (Se‒Se)2- groups as well as two selenide groups Se2- 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 triselenide - ZrSe3 - crystal structure
The crystal structure of single-layer zirconium triselenide (ZrS3)

Properties of Zirconium Triselenide

After exfoliation of zirconium triselenide crystal or powder, zirconium triselenide typically has the following properties:

  • ‎Monoclinic (space group: P21/m)
  • ZrSe3 is n-type semiconductor
  • ZrSeexhibits coexisting charge density waves (CDW) and superconducting response
  • ZrSe3 is semiconducting as well as metallic
  • Transition metal trichalcogenides (TMTCs)

Applications of Zirconium Triselenide

Zirconium triselenide (ZrSe3) single crystals can be used to prepare monolayer and few-layer ZrSe3 by mechanical or liquid exfoliation. Zirconium triselenide powder is suitable for liquid chemical exfoliation to prepare ZrSe3 nanosheets and nanoparticles down to few-layer films. Zirconium triselenide has applications in polarized light emitting and photo detecting devices related to its quasi-one dimensional properties such as high anisotropy ratios in conductivity and linear dichroism. Zirconium triselenide has also great application potentials in thermal energy batteries, near-infrared imaging, gas sensors, photodetectors and solar cells.

Literature and Reviews

  • Slot-die printed two-dimensional ZrS3 charge transport layer for perovskite light-emitting diodes. Dmitry S. Muratov et al. ACS Applied Materials & Interfaces (2019). Just accepted manuscript:
  • 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.
  • Optical and electrical properties of ZrSe3 single crystals grown by chemical vapour transport technique, K. Patel et al., Bull. Mater. Sci., 28(5), 405–410 (2005); doi: 10.1007/BF02711227.
  • Visible light detectors based on individual ZrSe3 and HfSe3 nanobelts, W, Xiong et al., J. Mater. Chem. C, 3, 1929 (2015); DOI: 10.1039/c4tc02492c.
  • Phonon Properties of Few-Layer Crystals of Quasi-One-Dimensional ZrS3 and ZrSe3, K. Osada et al., J. Phys. Chem. C, 120(8), 84653-4659 (2016); doi: 10.1021/acs.jpcc.5b12441.
  • First-Principles Study of the Transport Properties in Bulk and Monolayer MX3 (M = Ti, Zr, Hf and X = S, Se) Compounds, Y. Saeed et al., J. Phys. Chem. C, 121(3), 1399-1403 (2017); doi: 10.1021/acs.jpcc.6b08067.
  • High Thermoelectric Performance Originating from the Grooved Bands in the ZrSe3 Monolayer, Z. Zhou et al., ACS Appl. Mater. Interfaces, 10(43), 37031-37037 (2018); doi: 10.1021/acsami.8b12843.

Technical Data

CAS Number ‎12166-53-9 
Chemical Formula ZrSe3
Molecular Weight 328.10 g/mol
Bandgap 1.10 eV (indirect) [1]
Preparation Synthetic - Chemical Vapour Transport (CVT)
Structure ‎Monoclinic P
Electronic Properties 2D semiconductor
Melting Point ‎N/A
Colour Black
Synonyms Zirconium triselenide, Zirconium selenides
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 triselenide powder MSDSZirconium triselenide powder

Zirconium triselenide crystal MSDSZirconium triselenide crystal

Pricing Table

Product Code Form Size/Weight* Price
M2204C1 Powder 1 g £350
M2204A10 Crystal Small (≥10 mm2) £520 ea.
M2204A25 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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