Tungsten diselenide

Tungsten diselenide is an inorganic compound with the formula WSe2.[6] The compound adopts a hexagonal crystalline structure similar to molybdenum disulfide. The tungsten atoms are covalently bonded to six selenium ligands in a trigonal prismatic coordination sphere while each selenium is bonded to three tungsten atoms in a pyramidal geometry. The tungsten–selenium bond has a length of 0.2526 nm, and the distance between selenium atoms is 0.334 nm.[7] It is a well studied example of a layered material. The layers stack together via van der Waals interactions. WSe2 is a very stable semiconductor in the group-VI transition metal dichalcogenides.

Tungsten diselenide

WSe2 monolayer on graphene (yellow) and its atomic image (inset)[1]
Identifiers
3D model (JSmol)
ECHA InfoCard 100.031.877
EC Number
  • 235-078-7
  • InChI=1S/2Se.W
    Key: ROUIDRHELGULJS-UHFFFAOYSA-N
  • [Se]=[W]=[Se]
Properties
WSe2
Molar mass 341.76 g/mol
Appearance grey to black solid
Odor odorless
Density 9.32 g/cm3[2]
Melting point > 1200 °C
insoluble
Band gap ~1 eV (indirect, bulk)[3]
~1.7 eV (direct, monolayer)[4]
Structure
hP6, space group P6
3/mmc, No 194[2]
a = 0.3297 nm, c = 1.2982 nm
Trigonal prismatic (WIV)
Pyramidal (Se2−)
Thermochemistry
-185.3 kJ mol−1[5]
Hazards
Occupational safety and health (OHS/OSH):
Main hazards
 External MSDS
Related compounds
Other anions
 Tantalum diselenide
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Infobox references

Structure and properties

The hexagonal (P63/mmc) polymorph 2H-WSe2 is isotypic with hexagonal MoS2. The two-dimensional lattice structure has W and Se arranged periodically in layers with hexagonal symmetry. Similar to graphite, van der Waals interactions hold the layers together; however, the 2D-layers in WSe2 are not atomically thin. The large size of the W cation renders the lattice structure of WSe2 more sensitive to changes than MoS2.[8]

In addition to the typical semiconducting hexagonal structure, a second metallic polymorph of WSe2 exists. This phasem 1T-WSe2, is based on a tetragonal symmetry with one WSe2 layer per repeating unit. The 1T-WSe2 phase is less stable and transitions to the 2H-WSe2 phase.[8][9] WSe2 can form a fullerene-like structure.

The Young’s modulus vary greatly as a function of the number of layers in a flake. For a single monolayer, the reported Young’s modulus is 258.6 ± 38.3 GPa.[10]

Synthesis

Heating thin films of tungsten under pressure from gaseous selenium and high temperatures (>800 K) using the sputter deposition technique leads to the films crystallizing in hexagonal structures with the correct stoichiometric ratio.[11]

W + 2 Se → WSe2

Potential applications
Atomic image of a WSe2 monolayer showing hexagonal symmetry and three-fold defects. Scale bar: 2 nm (0.5 nm in the inset).[12]

The potential applications of transition metal dichalcogenides in solar cells and photonics are often discussed.[13] Bulk WSe
2 has an optical band gap of ~1.35 eV with a temperature dependence of −4.6×10−4 eV/K.[14] WSe
2 photoelectrodes are stable in both acidic and basic conditions, making them potentially useful in electrochemical solar cells.[15][16][17]

The properties of WSe
2 monolayers differ from those of the bulk state, as is typical for semiconductors. Mechanically exfoliated monolayers of WSe
2 are transparent photovoltaic materials with LED properties.[18] The resulting solar cells pass 95 percent of the incident light, with one tenth of the remaining five percent converted into electrical power.[19][20] The material can be changed from p-type to n-type by changing the voltage of an adjacent metal electrode from positive to negative, allowing devices made from it to have tunable bandgaps.[21]

See also

References
Wikimedia Commons has media related to Tungsten diselenide.
  1. Chiu, Ming-Hui; Zhang, Chendong; Shiu, Hung-Wei; Chuu, Chih-Piao; Chen, Chang-Hsiao; Chang, Chih-Yuan S.; Chen, Chia-Hao; Chou, Mei-Yin; Shih, Chih-Kang; Li, Lain-Jong (2015). "Determination of band alignment in the single-layer MoS2/WSe2 heterojunction". Nature Communications. 6: 7666. arXiv:1406.5137. Bibcode:2015NatCo...6.7666C. doi:10.1038/ncomms8666. PMC 4518320. PMID 26179885.
  2. Agarwal, M. K.; Wani, P. A. (1979). "Growth conditions and crystal structure parameters of layer compounds in the series Mo1−xWxSe2". Materials Research Bulletin. 14 (6): 825–830. doi:10.1016/0025-5408(79)90144-2.
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  6. Holleman, Arnold Frederik; Wiberg, Egon (2001), Wiberg, Nils (ed.), Inorganic Chemistry, translated by Eagleson, Mary; Brewer, William, San Diego/Berlin: Academic Press/De Gruyter, ISBN 0-12-352651-5
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  9. Ma, Yuqiang; Liu, Bilu; Zhang, Anyi; Chen, Liang; Fathi, Mohammad; Shen, Chenfei; Abbas, Ahmad N.; Ge, Mingyuan; Mecklenburg, Matthew; Zhou, Chongwu (2015-07-28). "Reversible Semiconducting-to-Metallic Phase Transition in Chemical Vapor Deposition Grown Monolayer WSe 2 and Applications for Devices". ACS Nano. 9 (7): 7383–7391. doi:10.1021/acsnano.5b02399. ISSN 1936-0851. PMID 26125321.
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