Zirconium Diselenide (ZrSe2) Powder and Crystal

CAS Number 12166-47-1

2D Materials, Low Dimensional Materials, Transition Metal Chalcogenides (TMCs), Transition Metal Dichalcogenides (TMDs)

MSDS

Zirconium Diselenide (ZrSe2) Powder and Crystal CAS 12166-47-1

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

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

Technical Data | MSDS | Literature and Reviews | Related Products

Zirconium diselenide (ZrSe₂, CAS number 12166-47-1) 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, ZrSe₂yields 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

>99.999% Zirconium Diselenide Purity

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Low Cost 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

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

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.

Few-layer ZrSe₂ nanosheets and nanoparticles can also obtained from zirconium diselenide powder by liquid-exfoliation.

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%

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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MSDS Documents

Zirconium diselenide powder

Zirconium diselenide crystal

Structure of Zirconium Diselenide

Zirconium diselenide (ZrSe₂) is a 2D semiconductor with a bandgap in the visible-infrared region. ZrSe₂crystallizes 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 >10⁶on/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.

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