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Names
IUPAC name
Niobium Triselenide
Identifiers
Properties
NbSe3
Molar mass 1292.425
Appearance black crystal
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Tracking categories (test):

Niobium triselenide is an inorganic compound belonging to the class of transition metal trichalcogenides. It has the formula NbSe3 and an oxidation state of +4. NbSe3 was first prepared by Meerschaut and Rouxel in 1975 and was the first reported one-dimensional compound to form a charge density wave sliding under an external electric field. [1] Due to its many studies and exhibited phenomenas in quantum mechanics, niobium triselenide has become the model system for quasi-1-D charge density waves.

Structure

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The monomer of this compound exhibits a six-coordinate geometry with six Se2-’s coordinating to one Nb center - NbSe66-. The selenides are the six vertices forming a triangular prism with two isosceles triangular faces and varying Se-Se triangular bond lengths of 2.37, 2.48, 2.91 Angstroms. [2]

From Meerschaut and Rouxel’s crystal x-ray diffraction, NbSe3’s monoclinic unit cell structure consists of six infinite chains of trigonal prisms stacked on top of the triangular sides and lined up parallely. Although the prisms share the same coordination, the six chains are not identical. Instead the cell consists of three chain types repeated twice where each chain is defined by its Se-Se bond length.

The high anisotropy of this structure results in the anisotropic crystallization of NbSe3, forming a ribbon-like fibre.

Properties

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Electrical Conductivity and Charge Density Wave Formation

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In the form of nanofibers, NbSe3 exhibits superconductivity under 2K.

The electrical resitivity of most metallic compounds decrease as temperature decreases. For the most part NbSe3 follows this trend except two anomalities exist where electrical resistivity reaches two local maximas at 145 K (-128oC) and 59 K (-214 oC). The maximas result in a sharp decrease in electrical conductivity. This observation is explained by the charge density wave formations that open the gaps in the Fermi surface.The opening causes the 1-D linear system to behave more like a semiconductor and less like a metal, a transition commonly known as Peierls transition. NbSe3 continues to be metallic despite going under the Peierls transition temperature because the charge density wave formation does not completely remove the Fermi surface, a phenomena known as imperfect Fermi surface nesting. [3] .

Synthesis

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Nb + 3Se → NbSe3

NbSe3 is prepared by traditional solid state reaction with niobium foil or niobium powder and selenium powder at 600 to 700oC in an inert and oxygen free atmosphere. The resulting black crystals can contain NbSe2 impurities which can be purified by chemical vapor transport (CVT) between 650 to 700oC. The lower limit of CVT was determined by the temperature in which NbSe2 is no longer stable. [4]

Applications

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Quantum Mechanics

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NbSe3 had a significant role in providing evidence for charge density wave (CDW) transport, CDW pinning, magnestism, Shubnikov-de Hass oscillations, and the Aharonov-Bohm effect.

Possible Industrial Applications

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Niobium triselenide is a cathode-of-interest for rechargeable lithium batteries due to its fibrous structure, high electrical conductivity, high gravimetric and volumetric energy densities at room temperature. [5]


References

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  1. ^ A. Meerschaut and J. Rouxell (September 1976). "Electric Field Breakdown of Charge-Density-Wave-Induced Anomalies in NbSe3". Physical Review Letters. 37 (10): 602–605. doi:10.1103/PhysRevLett.37.602.{{cite journal}}: CS1 maint: date and year (link)
  2. ^ {Gor'kov, L.P., ed. (1985). "Transition Metal Trichalcogenides" [1]. Modern Problems in Condensed Matter Science [Charge Density Waves in Solids]. Vol. 25. G. Grüner. North-Holland: Elsevier Science Publishers B.V. ISBN 0-444-87370-8. {{cite book}}: Cite has empty unknown parameters: |lay-date=, |lay-url=, and |lay-source= (help)
  3. ^ J L Hodeau, M Marezio, C Roucau, R Ayrolest, A Meerschautg, J Rouxels and P Monceaull (1978). "Charge-density waves in NbSe3 at145K:crystalstructures, x-ray and electron diffraction studies" (PDF). Phys. C : Solid State Phys. 11 (20): 263–9. doi:10.1088/0022-3719/11/20/009. {{cite journal}}: Text "pmc" ignored (help)CS1 maint: multiple names: authors list (link)
  4. ^ Hua Tang, Changsheng Li,, Xiaofei Yang, Chaochao Mo, Kesheng Cao, and Fengyuan Yan; et al. (April 2011). "Synthesis and tribological properties of NbSe3 nanofibers and NbSe2 microsheets" (PDF). Crystal Research and Technology. 46 (4): 400–4. doi:10.1172/JCI16567. PMC 151837. PMID 12511592. {{cite journal}}: Explicit use of et al. in: |author= (help); Text "pmc" ignored (help)CS1 maint: date and year (link) CS1 maint: multiple names: authors list (link)
  5. ^ Hua Tang, Changsheng Li,, Xiaofei Yang, Chaochao Mo, Kesheng Cao, and Fengyuan Yan; et al. (November 1989). "A.c. impedance of niobium triselenide cathode in secondary lithium cells" (PDF). Journal of Applied Electrochemistry. 19 (6): 813–818. doi:10.1007/BF01007927. PMC 151837. PMID 12511592. {{cite journal}}: Explicit use of et al. in: |author= (help); Text "pmc" ignored (help)CS1 maint: date and year (link) CS1 maint: multiple names: authors list (link)