Zirconium Triselenide (ZrSe3) Powders and Crystals

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.

We supply zirconium triselenide in both powdered and crystal forms.

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

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

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

• High purity zirconium triselenide suitable for a range of applications
• Available in powdered form or in crystal form by weight or size
• Low price with free worldwide shipping on qualifying orders

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-Se^2-, there are two types of Se atoms in the crystal system. Shown in the crystal structure below, a basic structural fragment prism {ZrSe_6/2} is constructed from two diselenide (Se‒Se)^2- groups as well as two selenide groups Se^2- 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.

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
• ZrSe₃ exhibits 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. Zirconim 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: https://doi.org/10.1021/acsami.9b16457
• 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.