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Zirconium Diselenide (ZrSe2) Powder and Crystal

CAS Number 12166-47-1

2D Semiconductor Materials, Low Dimensional Materials

Product Code M2202C1-1g
Price $438 ex. VAT

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

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

Zirconium diselenide (ZrSe2) is a 2D semiconductor with a bandgap in the visibles-infrared region. With moderate bandgaps, 2D ZrSe2 and HfSe2 are believed to be among the best candidates to replace the silicon in nanoelectronics.

With the value of dimensionless thermoelectric figure-of-merit (ZT) being higher than those of MoS2 and MoSe2 monolayers, ZrSeyields high thermoelectric conversion efficiency. Furthermore, the thermoelectric performance of ZrSe2 can be effectively enhanced by band valley engineering through the application of biaxial strain.

High Purity 12166-47-1

High Purity

>99.999% Zirconium Diselenide Purity

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Low Cost 12166-47-1

Low Cost

Low Cost Zirconium Diselenide

Different Forms of Zirconium Diselenide

Powder & Crystal

Different Forms of Zirconium Diselenide

We supply low price zirconium diselenide in several different forms for a range of applications.

Zirconium diselenide powder

Zirconium Diselenide Powder

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

Available in quantities of 1 g

≥99.995% purity

From £350

Zirconium diselenide crystals by size

Zirconium Diselenide Crystals by Size

Can be used to produce single or few-layer zirconium diselenide 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 diselenide 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 diselenide 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 ZrSe2 nanosheets and nanoparticles can also obtained from zirconium diselenide powder by liquid-exfoliation.

Key Product Data

Structure of Zirconium Diselenide

Zirconium diselenide (ZrSe2) is a 2D semiconductor with a bandgap in the visible-infrared region. ZrSecrystallizes in the CdI2 (1T) polytype with octahedral metal coordinationon: one Zr atom is octahedrally coordinated by six selenium atoms. Single layer of  ZrSe2 consists of a sequence of Se-Zr-Se atomic trilayer unit in which a sheet of Zr atoms is sandwiched between two sheets of selenides. Like other TMDCs,strong covalent bonds exist within the layer structure, while weak van der Waals holds the successive ZrSe2 layers together.

Zirconium diselenide - ZrSe2 crystal structure
The crystal structure of single-layer zirconium diselenide (ZrSe2)

Properties of Zirconium Diselenide

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

  • ‎Octahedral (1T, space group: P3m1)
  • A bandgap in the visible-infrared region (0.9 ~ 1.2 eV)
  • High thermoelectric conversion efficiency
  • Thermoelectric performance of ZrSe2 can be effectively enhanced by biaxial strain

Applications of Zirconium Diselenide

Zirconium diselenide (ZrSe2) single crystals can be used to prepare monolayer and few-layer ZrSe2 by mechanical or liquid exfoliation. 

Zirconium diselenide powder is suitable for liquid chemical exfoliation to prepare ZrSe2 nanosheets and nanoparticles down to few-layer films.

Zirconium diselenide has the size of the bandgap comparable to that of silicon, which is small enough on the one hand to allow low-voltage operation, while large  enough on the other hand to enable >10on/off current ratios. ZrSe2 has great application potentials in FETs and photovoltaic devices.

ZrSe2 and HfSe2 possess band gaps of 0.9 to 1.2 eV from bulk to ultrathin nano-structures and technologically desirable “high-κ” native dielectrics ZrO2 and HfO2, respectively. With the possibility of thinner circuits and desirable high-k insulation combined, these ultrathin semiconductors could be made into transistors 10 times smaller than anything possible with silicon.

Literature and Reviews

  • Opposite dispersion bands at the Fermi level in ZrSe2, A. Ghafari et al., Appl. Phys. Lett., 112, 182105 (2018); doi: 10.1063/1.5025794.
  • Tunable direct-indirect band gaps of ZrSe2 nanoribbons, S. Li et al., J. Appl. Phys. 124, 034304 (2018); doi: 10.1063/1.5036673.
  • Impurity characteristics of group V and VII element-doped two-dimensional ZrSe2 monolayer, X. Wang et al., Physica E 93, 279–283 (2017); doi: 10.1016/j.physe.2017.06.032.
  • Raman Spectra of ZrS2 and ZrSe2 from Bulk to Atomically Thin Layers, S. Mañas-Valero et al., Appl. Sci., 6, 264 (2016); doi:10.3390/app6090264.
  • Tunable ideal strength of ZrSe2 monolayer by charge doping, S. Li et al., J. Appl. Phys. 124, 115101 (2018); doi: 10.1063/1.5049465.
  • Strain-induced thermoelectric performance enhancement of monolayer ZrSe2, D. Qin et al., RSC Adv., 7, 47243 (2017); DOI: 10.1039/c7ra08828k.
  • HfSe2 and ZrSe2: Two-dimensional semiconductors with native high-k oxides, M. Mleczko et al., Sci. Adv., 3 (8), e1700481 (2017); DOI: 10.1126/sciadv.1700481.
  • Controlled Synthesis of ZrS2 Monolayer and Few Layers on Hexagonal Boron Nitride, M. Zhang et al., J. Am. Chem. Soc. 2015, 137, 7051−7054 (2015); DOI: 10.1021/jacs.5b03807.
  • Electron doping induced semiconductor to metal transitions in ZrSe2 layers via copper atomic intercalation, Z. Muhammad et al., Nano Res., 11(9): 4914–4922 (2018); doi: 10.1007/s12274-018-2081-1.
  • Elastic, electronic, and dielectric properties of bulk and monolayer ZrS2, ZrSe2, HfS2, HfSe2 from van der Waals density-functional theory, Q. Zhao et al., Phys. Status Solidi B 254, No. 9, 1700033 (2017); DOI 10.1002/pssb.201700033.

Technical Data

CAS Number ‎12166-47-1
Chemical Formula ZrSe2
Molecular Weight 249.14 g/mol
Bandgap 0.9 ~ 1.2 eV [1]
Preparation Synthetic - Chemical Vapour Transport (CVT)
Structure ‎Octahedral (1T)
Electronic Properties 2D semiconductor
Melting Point N/A
Colour Golden brown
Synonyms Zirconium selenide, Bis(selanylidene)zirconium
Classification / Family Transition metal dichalcogenides (TMDCs), 2D Semiconductor materials, Photocatalyst for hydrogen production, Nano-electronics, Nano-photonics, Photovoltaic, Materials science

Product Details

Form Purity
Powder ≥99.995%
Crystal ≥99.999%

MSDS Documents

Zirconium diselenide powder MSDSZirconium diselenide powder

Zirconium disulfide crystal MSDSZirconium diselenide crystal

Pricing Table

Product Code Form Size/Weight* Price
M2202C1 Powder 1 g £350
M2202A10 Crystal Small (≥10 mm2) £520 ea.
M2202A25 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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