Molybdenum Diselenide

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Molybdenum diselenide
Molybdenum diselenide

Top-view atomic images of MoSe2 before and after (right) ion irradiation[1]
Names
IUPAC name
bis(selanylidene)molybdenum
Other names
molybdenum diselenide, molybdenumdiselenide, molybdenum selenide, diselanylidenemolybdenum, molybdenum(IV) selenide
Identifiers
3D model (JSmol)
ChemSpider
EC Number
  • 235-027-9
Properties
MoSe2
Molar mass 253.86 g/mol[2]
Appearance crystalline solid
Density 6.90 g/cm3[2]
Melting point >1200 °C[2]
Band gap ~0.85 eV (indirect, bulk)
~1.5 eV (direct, monolayer)[3][4]
1.4--3.4 (ultraviolet)
3.4--5.1 (visible)
4.2--4.9 (near infrared)[5]
Structure
hP6, space group P63/mmc, No 194[6]
a = 0.3283 nm, c = 1.2918 nm
Trigonal prismatic (MoIV)
Pyramidal (Se2−)
Related compounds
Other anions
 Molybdenum dioxide
Molybdenum disulfide
Molybdenum ditelluride
Tantalum diselenide
Other cations
 Tungsten diselenide
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Infobox references
Tracking categories (test):

Molybdenum diselenide (MoSe2) is an inorganic compound of molybdenum and selenium. Its structure is similar to that of MoS2.[7] Compounds of this category are known as transition metal dichalcogenides, abbreviated TMDCs. These compounds, as the name suggests, are made up of a transition metals and elements of group 16 on the periodic table of the elements. Compared to MoS2, MoSe2 exhibits higher electrical conductivity.[8]

Structure

Like many TMDCs, MoSe2 is a layered material with strong in-plane bonding and weak out-of-plane interactions. These interactions lead to exfoliation into two-dimensional layers of single unit cell thickness.[9]

The most common form of these TMDCs have trilayers of molybdenum sandwiched between selenium ions causing a trigonal prismatic metal bonding coordination, but it is octahedral when the compound is exfoliated. The metal ion in these compounds is surrounded by six Se2− ions. The coordination geometry of the Mo is sometimes found as octahedral and trigonal prismatic.[10]

Synthesis

Synthesis of MoSe2 involves direct reaction of molybdenum and selenium in a sealed tube at high temperature. Chemical vapor transport with a halogen (usually bromine or iodine) is used to purify the compound at very low pressure (less than 10-6 torr) and very high temperature (600–700 °C). It has to be heated very gradually to prevent explosion due to its strong exothermic reaction. Stoichiometric layers crystallize in a hexagonal structure as the sample cools.[10] Excess selenium can be removed by sublimation under vacuum.[11] The synthesis reaction of MoSe2 is:

Mo + 2 Se → MoSe2

Single-crystal-thick layers of MoSe2 are produced by scotch tape exfoliation from bulk crystals,[12] by chemical vapor deposition (CVD) [13] or molecular-beam epitaxy (MBE).[14]

Properties

The electron mobility of 2D-MoSe2 is significantly higher than that of 2D-MoS2. 2D MoSe2 adopts structures reminiscent of graphene, although the latter's electron mobility is thousands of times greater still.

In contrast to graphene, monolayer MoSe2 has a direct band gap, suggesting applications in transistors and photodetectors. However, the band gap of multilayer MoSe2 is indirect. [13]

In-plane (nxy) and out-of-plane (nz) refractive index spectra of molybdenum diselenide with respective extinction coefficient spectra (kxy, kz).[5]

Molybdenum diselenide exhibits anisotropy of the refractive index. The in-plane refractive index has exceptionally high values, extending 4 for wavelengths above 430 nm and reaching a maximum value of 5.117 for 825 nm, while the out-of-plane refractive index is near 3 in the visible and the infrared range of the spectrum. MoSe2 highly absorb the visible light but is transparent for the infrared.[5]

Natural occurrence

Molybdenum(IV) selenide occurs in the nature as the extremely rare mineral drysdallite.[15]

References

  1. ↑ Iberi, Vighter; Liang, Liangbo; Ievlev, Anton V.; Stanford, Michael G.; Lin, Ming-Wei; Li, Xufan; Mahjouri-Samani, Masoud; Jesse, Stephen et al. (2016). "Nanoforging Single Layer MoSe2 Through Defect Engineering with Focused Helium Ion Beams". Scientific Reports 6. doi:10.1038/srep30481. PMID 27480346. Bibcode: 2016NatSR...630481I. 
  2. ↑ 2.0 2.1 2.2 Haynes, William M., ed (2011). CRC Handbook of Chemistry and Physics (92nd ed.). Boca Raton, FL: CRC Press. p. 4.76. ISBN 1439855110. 
  3. ↑ 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). doi:10.1103/PhysRevB.85.033305. Bibcode: 2012PhRvB..85c3305Y. 
  4. ↑ Kioseoglou, G.; Hanbicki, A. T.; Currie, M.; Friedman, A. L.; Jonker, B. T. (2016). "Optical polarization and intervalley scattering in single layers of MoS2 and MoSe2". Scientific Reports 6. doi:10.1038/srep25041. PMID 27112195. Bibcode: 2016NatSR...625041K. 
  5. ↑ 5.0 5.1 5.2 Pruszyńska-Karbownik, Emilia; Fąs, Tomasz; Brańko, Katarzyna; Yavorskiy, Dmitriy; Stonio, Bartłomiej; Bożek, Rafał; Karbownik, Piotr; Wróbel, Jerzy et al. (2026). "Optical Bound States in the Continuum in Subwavelength Gratings Made of an Epitaxial van der Waals Material". ACS Nano 20 (9): 7426-7437. doi:10.1021/acsnano.5c12870. https://doi.org/10.1021/acsnano.5c12870. Retrieved 15 April 2026. 
  6. ↑ Agarwal, M. K.; Patel, P. D.; Joshi, R. M. (1986). "Growth conditions and structural characterization of MoSexTe2−x (0 ⩽ x ⩽ 2) single crystals". Journal of Materials Science Letters 5: 66–68. doi:10.1007/BF01671439. 
  7. ↑ Greenwood, N. N.; Earnshaw, A. (11 November 1997). Chemistry of the Elements. Elsevier. pp. 1017–1018. ISBN 978-0-08-050109-3. https://books.google.com/books?id=EvTI-ouH3SsC. 
  8. ↑ Eftekhari, Ali (2017). "Molybdenum Diselenide (MoSe2) for Energy Storage, Catalysis, and Optoelectronics". Applied Materials Today 8: 1–16. doi:10.1016/j.apmt.2017.01.006.MoSe2)+for+Energy+Storage,+Catalysis,+and+Optoelectronics&rft.jtitle=Applied+Materials+Today&rft.aulast=Eftekhari&rft.aufirst=Ali&rft.au=Eftekhari, Ali&rft.date=2017&rft.volume=8&rft.pages=1–16&rft_id=info:doi/10.1016/j.apmt.2017.01.006&rfr_id=info:sid/en.wikibooks.org:Chemistry:Molybdenum_diselenide"> 
  9. ↑ Wang, Qing Hua; Kalantar-Zadeh, Kourosh; Kis, Andras; Coleman, Jonathan N.; Strano, Michael S. (2012). "Electronics and optoelectronics of two-dimensional transition metal dichalcogenides". Nature Nanotechnology 7 (11): 699–712. doi:10.1038/nnano.2012.193. PMID 23132225. Bibcode: 2012NatNa...7..699W. http://infoscience.epfl.ch/record/182177. 
  10. ↑ 10.0 10.1 Parilla, P.; Dillon, A.; Parkinson, B.; Jones, K.; Alleman, J.; Riker, G.; Ginley, D.; Heben, M; Formation of Nanooctahedra in Molybdenum Disulfide and Molybdenum Diselenide Using Pulsed Vapor Transport doi:10.1021/jp036202
  11. ↑ Al-hilli, A.; Evans, L. The Preparation and Properties of Transition Metal Dichalcogenide Single Crystals. Journal of Crystal Growth. 1972. 15, 93–101. doi:10.1016/0022-0248(72)90129-7
  12. ↑ Phalswal, Priyanka; Khanna, Pawan K.; Rubahn, Horst-Günter; Mishra, Yogendra Kumar (2022). "Nanostructured molybdenum dichalcogenides: a review". Materials Advances 3: 5672-5697. doi:10.1039/D2MA00150K. https://pubs.rsc.org/en/content/articlehtml/2022/ma/d2ma00150k. Retrieved 10 March 2026. 
  13. ↑ 13.0 13.1 "Scalable CVD process for making 2-D molybdenum diselenide". Rdmag.com. 2014-04-04. http://www.rdmag.com/news/2014/04/scalable-cvd-process-making-2-d-molybdenum-diselenide. 
  14. ↑ Pacuski, Wojciech; Grzeszczyk, Magdalena; Nogajewski, Karol; Bogucki, Aleksander; Bożek, Rafał; Taniguchi, Takashi; Watanabe, Kenji; Kret, Slawomir et al. (2020). "Narrow Excitonic Lines and Large-Scale Homogeneity of Transition-Metal Dichalcogenide Monolayers Grown by Molecular Beam Epitaxy on Hexagonal Boron Nitride". Nano Letters 20 (5): 3058–3066. doi:10.1021/acs.nanolett.9b04998. https://pubs.acs.org/doi/10.1021/acs.nanolett.9b04998. Retrieved 10 March 2026. 
  15. ↑ "Home". http://www.mindat.org/. 



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Categories: [Selenides] [Molybdenum(IV) compounds] [Transition metal dichalcogenides] [Monolayers]

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