Titanium(IV) Sulfide (TiS2) Powder and Crystal

CAS Number 12039-13-3

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

Titanium(IV) Sulfide (TiS2) Powder and Crystal MSDS

Titanium(IV) Sulfide (TiS2) Powder and Crystal CAS 12039-13-3

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

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

Technical Data | MSDS | Literature and Reviews | Related Products

Titanium(IV) sulfide (also known as titanium disulfide TiS₂), CAS number 12039-13-3, is highly stable. It is the most lightweight and low-cost Group IV TMDC material. TiS₂ is known to be a semimetal in when in bulk form with an indirect band-overlap of about 0.12 eV, and a semiconductor when strain or pressure is applied in the monolayer form. With a higher degree of overlap of the valence and conduction bands, its semi-metallic nature intensifies when compression is applied. However, the energetic overlap is lifted and a semimetal-to-semiconductor transition occurs under pressure or strains.

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≥99.999% Crystal Purity

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Low Cost Titanium(IV) Sulfide

Powder & Crystal

Different Forms of Titanium(IV) Sulfide

TiS₂ crystallises in an octahedral (1T) phase, which is more energetically stable compared to its hexagonal (2H) phase. Titanium(IV) sulfide has been successfully employed as an electrode material for rechargeable sodium and lithium ion batteries.

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

Titanium(IV) Sulfide Powder

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

Sold by weight

≥99.995% purity

From £350

Titanium(IV) Sulfide Crystals by Size

Can be used to produce single or few-layer titanium(IV) sulfide 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) sulfide 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) sulfide powder can also be used to prepare TiS₂ nanosheets and nanoparticles by liquid-exfoliation (normally assisted by sonication).

Technical Data

CAS Number	‎‎12039-13-3
Chemical Formula	TiS₂
Molecular Weight	111.987 g/mol
Bandgap	N/A
Preparation	Synthetic - Chemical Vapour Transport (CVT)
Structure	‎‎Octahedral (1T)
Electronic Properties	Semimetal, Diamagnetic
Melting Point	N/A
Colour	Golden yellow
Synonyms	Titanium disulfide, Bis(sulfanylidene)titanium
Classification / Family	Transition metal dichalcogenides (TMDCs), 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
M2147C1	Powder	1 g	£350
M2147A10	Crystal	Small (≥10 mm²)	£520 ea.
M2147A25	Crystal	Medium (≥25 mm²)	£850 ea.

*typical representative size, areas/dimensions may vary

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MSDS Documents

Titanium(IV) sulfide powder

Titanium(IV) sulfide crystal

Structure of Titanium(IV) Sulfide

A single sheet of TiS₂ is formed by a titanium atom layer sandwiched between two layers of sulfur atoms that are covalently bonded to the titanium atoms. Like other Group IV transition metal dichalcogenides, TiS₂ crystallises in an octahedral (1T) phase, which is more energetically stable compared to its hexagonal (2H) phase.

Top and side view of single-layer titanium(iv) sulfide (1T-TiS₂)

Properties of 2D Titanium(IV) Sulfide

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

Hexagonal (1T) structure (space group: P3m1)
Light weight, highly stable and low-cost
Known to be a semimetal in when in bulk form and a semiconductor when strain or pressure is applied in the monolayer form

Applications of Titanium(IV) Sulfide

Titanium(IV) sulfide single crystals can be used to prepare monolayer and few-layer TiS₂ by mechanical or liquid exfoliation. Titanium(IV) sulfide powder is suitable for liquid chemical exfoliation to prepare TiS₂ nanosheets and nanoparticles down to few-layer films.

Monolayer titanium(IV) sulfide is the lightest member of the transition metal dichalcogenide family. It has promising applications in energy conversion and storage systems. 2D titanium(IV) sulfide has also been used in supercapacitors, and ultrafast fiber laser applications.

Two-dimensional thin layer nanosheets made from chemically-exfoliated titanium(IV) sulfide powder are generally used as electrode materials in storage batteries. Atomic-layered TiS₂quantum dot materials prepared from liquid exfoliation of TiS₂ powder can also be used as electrocatalysts for hydrogen evolution reactions (HER).

TiS₂ enables desalination of the sea water by the removal of sodium cations involving intercalation mechanism without employing an ion exchange membrane.

Literature and Reviews

Electronic Properties and Chemical Reactivity of TiS2 Nanoflakes, C. Cucinotta et al., J. Phys. Chem. C, 119, 15707−15715 (2015); DOI: 10.1021/acs.jpcc.5b03212
Tracking the Chemical and Structural Evolution of the TiS2 Electrode in the Lithium-Ion Cell Using Operando X‑ray Absorption Spectroscopy, L. Zhang et al., Nano Lett., 18, 4506−4515 (2018); DOI: 10.1021/acs.nanolett.8b01680.
Room Temperature and Aqueous Solution-Processed 2D TiS2 as Electron Transport Layer for Highly Efficient and Stable Planar n-i-p Perovskite Solar Cells, ACS Appl. Mater. Interfaces, 10 (17), 14796-14802 (2018); DOI: 10.1021/acsami.8b03225.

Intercalation and lattice expansion in titanium disulfide, M. Whittingham et al., J. Chem. Phys. 62, 1588 (1975); doi: 10.1063/1.430581.
Thio sol–gel synthesis of titanium disulfide thin films and nanoparticles using titanium(IV) alkoxide precursors, A. Let et al., J. Phys. Chem. Solids 68, 1428–1435 (2007); doi:10.1016/j.jpcs.2007.03.001.
Unveiling two-dimensional TiS2 as an insertion host for the construction of high energy Li-ion capacitors, J. Mater. Chem. A, 5, 9177 (2017); DOI: 10.1039/c7ta01594a.
TiS2 nanoplates:Ahigh-rateandstable electrode material for sodium ion batteries, Y. Liu et al., Nano Energy, 20, 168–175 (2016); doi: 10.1016/j.nanoen.2015.12.028.
Titanium Disulfide: A Promising Low-Dimensional Electrode Material for Sodium Ion Intercalation for Seawater Desalination, P. Srimuk et al., Chem. Mater., 29, 9964−9973 (2017); DOI: 10.1021/acs.chemmater.7b03363.
TiS2 Monolayer as an Emerging Ultrathin Bifunctional Catalyst: Influence of Defects and Functionalization, T. Das et al., ChemPhysChem, 20, 608–61 (2019); DOI: 10.1002/cphc.2018010.
Strain-induced semimetal-to-semiconductor transition and indirect-to-direct band gap, transition in monolayer 1T-TiS2, C. Xu et al., RSC Adv., 2015, 5, 83876 (2015); DOI: 10.1039/c5ra16877e.
Strain-induced enhancement of thermoelectric performance of TiS2 monolayer based on first-principles phonon and electron band structures, G. Li et al., Nanotechnology 29, 015204 (2018); doi: 10.1088/1361-6528/aa99ba.
High Performance Pseudocapacitor Based on 2D Layered Metal Chalcogenide Nanocrystals, G. Muller et al., Nano Lett., 15, 1911−1917 (2015); DOI: 10.1021/nl504764m.
2D TiS2 Layers: A Superior Nonlinear Optical Limiting Material, S. Varma et al., Adv. Optical Mater., 5, 1700713 (2017); DOI: 10.1002/adom.201700713.

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