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

  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.
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  4. Yun, Won Seok; Han, S. W.; Hong, Soon Cheol; Kim, In Gee; Lee, J. D. (2012). "Thickness and strain effects on electronic structures of transition metal dichalcogenides: 2H-MX2 semiconductors (M = Mo, W; X = S, Se, Te)". Physical Review B. 85 (3): 033305. Bibcode:2012PhRvB..85c3305Y. doi:10.1103/PhysRevB.85.033305.
  5. O'Hare, P.A.G.; Lewis, Brett M.; parkinson, B.A. (June 1988). "Standard molar enthalpy of formation by fluorine-combustion calorimetry of tungsten diselenide (WSe2). Thermodynamics of the high-temperature vaporization of WSe2. Revised value of the standard molar enthalpy of formation of molybdenite (MoS2)". The Journal of Chemical Thermodynamics. 20 (6): 681–691. doi:10.1016/0021-9614(88)90019-5.
  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
  7. Schutte, W.J.; De Boer, J.L.; Jellinek, F. (1986). "Crystal Structures of Tungsten Disulfide and Diselenide". Journal of Solid State Chemistry. 70 (2): 207–209. Bibcode:1987JSSCh..70..207S. doi:10.1016/0022-4596(87)90057-0.
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  11. Pouzet, J.; Bernede, J.C.; Khellil, A.; Essaidi, H.; Benhida, S. (1992). "Preparation and characterization of tungsten diselenide thin films". Thin Solid Films. 208 (2): 252–259. Bibcode:1992TSF...208..252P. doi:10.1016/0040-6090(92)90652-R.
  12. Lin, Y. C.; Björkman, T. R.; Komsa, H. P.; Teng, P. Y.; Yeh, C. H.; Huang, F. S.; Lin, K. H.; Jadczak, J.; Huang, Y. S.; Chiu, P. W.; Krasheninnikov, A. V.; Suenaga, K. (2015). "Three-fold rotational defects in two-dimensional transition metal dichalcogenides". Nature Communications. 6: 6736. Bibcode:2015NatCo...6.6736L. doi:10.1038/ncomms7736. PMC 4396367. PMID 25832503.
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  15. Gobrecht, J.; Gerischer, H.; Tributsch, H. (1978). "Electrochemical Solar Cell Based on the d-Band Semiconductor Tungsten-Diselenide". Berichte der Bunsengesellschaft für physikalische Chemie. 82 (12): 1331–1335. doi:10.1002/bbpc.19780821212.
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  18. Li, Hai; Wu, Jumiati; Yin, Zongyou; Zhang, Hua (2014). "Preparation and Applications of Mechanically Exfoliated Single-Layer and Multilayer MoS2 and WSe2 Nanosheets". Accounts of Chemical Research. 47 (4): 1067–1075. doi:10.1021/ar4002312. PMID 24697842.
  19. "Tungsten diselenide shows potential for ultrathin, flexible, semi-transparent solar cells". Gizmag.com. 11 March 2014. Retrieved 17 August 2014.
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