Titanium(IV) Selenide (TiSe2) Powder and Crystal

CAS Number 12067-45-7

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

Titanium(IV) Selenide (TiSe2) Powder and Crystal CAS 12067-45-7

Low price, high purity 2D metal titanium(IV) selenide powder and crystals

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

Titanium(IV) selenide (also known as titanium diselenideTiSe₂), CAS number 12067-45-7, is a family member of Group IV transition metal dichalcogenides (TMDCs), and is of great interest as one of the typical charge density wave (CDW) materials. It is known that the CDW characteristics of TiSe₂ can be changed; they are typically suppressed. In some cases, this leads to superconductivity or magnetic order by applying high pressure or intercalation.

TiSe₂ has an octahedral crystal structure (1T, space group D_3d) with van der Waals stacked layers. In its bulk form, 1T-TiSe₂ undergoes a phase transition from a semimetal (1 × 1 × 1 normal phase) to a commensurate CDW (2 × 2 × 2 CDW) at around 200 K. Recent discoveries have demonstrated that superconductivity in TiSe₂ can be induced either by field-effect doping of few-layer TiSe₂, or copper doping to form Cu_xTiSe₂. In both cases, the suppression of the CDW is considered essential to achieve superconductivity.

TiSe₂ has an electronic structure near the Fermi energy level comparable to that of a semiconductor. Its valence and conduction bands overlap slightly through an indirect gap. Rather interestingly, TiSe₂has an exotic ground state, the 'excitonic insulator' phase.

High Purity

≥99.999% Crystal Purity

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Low Cost Titanium(IV) Selenide

Powder & Crystal

Different Forms of Titanium(IV) Selenide

We supply low price titanium(IV) selenide in several different forms for a range of applications.

Titanium(IV) Selenide Powder

Can be used for preparation of titanium(IV) selenide nanoplates and ultrathin films

Sold by weight

≥99.995% purity

From £350

Titanium(IV) Selenide Crystals by Size

Can be used to produce single or few-layer titanium(IV) selenide 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 titanium(IV) selenide crystal is most commonly used as sources from which single or few-layer sheets can be obtained via either mechanical or liquid exfoliation.

Titanium(IV) selenide powder can also be used to prepare TiSe₂ nanosheets and nanoparticles by liquid-exfoliation (normally assisted by sonication).

Technical Data

CAS Number	12067-45-7
Chemical Formula	TiSe₂
Molecular Weight	205.79 g/mol
Bandgap	N/A
Preparation	Synthetic - Chemical Vapour Transport (CVT)
Structure	Octahedral (1T)
Electronic Properties	Semimetal, Charge Density Waves (CDW)
Melting Point	N/A
Colour	Dark brown
Synonyms	Titanium Diselenide (TiSe₂), Bis(selanylidene)titanium
Classification / Family	Transition metal dichalcogenides (TMDCs), Charge Density Wave (CDW), Superconductivity, 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
M2151C1	Powder	1 g	£350
M2151A10	Crystal	Small (≥10 mm²)	£520 ea.

*Typical representative size, areas/dimensions may vary

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MSDS Documents

Titanium(IV) selenide powder

Titanium(IV) selenide crystal

Structure of Titanium(IV) Selenide

TiSe₂ has an octahedral crystal structure (1T, space group D_3d) with van der Waals stacked layers. Monolayer TiSe₂ consists of stacked Se–Ti–Se atomic layers, in which Ti and Se atoms are strongly bound within the layer. Ti atom is located in the center of the octahedral, which is the inversion symmetry point.

TiSe2 crystal structure — Top and side view of single-layer titanium(IV) selenide (1T-TiSe₂)

Properties of 2D Titanium(IV) Selenide

After exfoliation of crystals or powder, titanium(IV) selenide typically has the following properties:

Hexagonal (1T) structure (space group: P3m1 D_3d)
CDW characteristics of TiSe₂ can be changed or suppressed
Superconductivity in TiSe₂ can be induced either by field-effect doping of few-layer TiSe₂, or copper doping to form Cu_xTiSe₂

Applications of Titanium(IV) Selenide

Titanium(IV) selenide single crystals can be used to prepare monolayer and few-layer TiSe₂ by mechanical or liquid exfoliation. Titanium(IV) selenide powder is suitable for liquid chemical exfoliation to prepare TiSe₂ nanosheets and nanoparticles down to few-layer films.

Titanium(IV) selenide has potential applications in superconductors, optoelectronics, advanced low‐power electronics, voltage-controlled oscillators, and ultra-fast electronics.

Titanium(IV) selenide has potential applications in optoelectronics, advanced low‐powerelectronics, superconductors, voltage-controlled oscillators, and ultra-fast electronics.

Mono- or few-layer TiSe₂ has potential applications in controllable-switch electronic devices, and quantum information processing (based on CDW).

The electron doping due to the Li intercalation and the expansion of the interlayer spacing between TiSe₂ layers due to the intercalation of diamines suppress the charge density wave transition and lead to the appearance of superconductivity. Also Mg-ion battery with a micro-sized TiSe₂ cathode shows rechargeable performance at ambient temperature.

Literature and Reviews

Enhancing charge-density-wave order in 1T-TiSe2 nanosheet by encapsulation with hexagonal boron nitride, L. Li et al., Appl. Phys. Lett. 109, 141902 (2016); doi: 10.1063/1.4963885.
Unveiling the charge density wave inhomogeneity and pseudogap state in 1T-TiSe2, K. Zhang et al., Sci. Bull., 63, 426–432 (2018); doi: 10.1016/j.scib.2018.02.018.
Unconventional Charge-Density-Wave Transition in Monolayer 1T‑TiSe2, K. Sugawara et al., ACS Nano, 10, 1341−1345 (2016); DOI: 10.1021/acsnano.5b06727.

Raman Characterization of the Charge Density Wave Phase of 1T-TiSe2: From Bulk to Atomically Thin Layers, D. Duong et al., ACS Nano, 11, 1034−1040 (2017); DOI: 10.1021/acsnano.6b07737.
Hydrogenation-driven phase transition in single-layer TiSe2, F. Iyikanat et al, Nanotechnology 28, 495709 (2017); doi: 10.1088/1361-6528/aa94ab.
Controlled Synthesis of Two-Dimensional 1T‑TiSe2 with Charge Density Wave Transition by Chemical Vapor Transport, J. Wang et al., J. Am. Chem. Soc., 138, 16216−16219 (2016); DOI: 10.1021/jacs.6b10414.
Layer- and substrate-dependent charge density wave criticality in 1T–TiSe2, S. Kolekar et al., 2D Mater. 5, 015006 (2018); DIO: 10.1088/2053-1583/aa8e6f.
Charge density wave transition in single-layer titanium diselenide, P. Chen et al., Nat. Commun., 6:8943 (2015); DOI: 10.1038/ncomms9943.
Charge Density Waves in Exfoliated Films of van der Waals Materials: Evolution of Raman Spectrum in TiSe2, P. Goli et al, Nano Lett., 12, 5941−5945 (2012); doi: 10.1021/nl303365x.
Stable charge density wave phase in a 1T–TiSe2 monolayer, B. Singh et al., Phys. Rev., 95, 245136 (2017); DIO: 10.1103/PhysRevB.95.245136.

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