Electronic properties of Janus MoSSe nanotubes

Luo, Yu Feng; Pang, Yong; Tang, Mei; Song, Qi; Wang, Min

doi:10.1016/j.commatsci.2018.10.012

Cited by 43 publications

(25 citation statements)

References 33 publications

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“…Such a monolayer structure is assumed to be an efficient wide solar-spectrum photocatalyst material for water-splitting reactions [ 19 , 20 ], with characteristics that are superior to currently known 3D and 2D materials. After the successful synthesis of a 1H (honeycomb, graphene-like structure) MoSSe monolayer in 2017 [ 21 ], several polymorph phases have been investigated theoretically: 1T [ 22 ], 1T’ [ 23 ], and 1H’ [ 24 ] monolayers, and even MoSSe nanotubes [ 25 ].…”

Section: Introductionmentioning

confidence: 99%

Raman Spectroscopy of Janus MoSSe Monolayer Polymorph Modifications Using Density Functional Theory

2022

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Two-dimensional transition metal dichalcogenides (TMDs) with Janus structures are attracting increasing attention due to their emerging superior properties in breaking vertical mirror symmetry when compared to conventional TMDs, which can be beneficial in fields such as piezoelectricity and photocatalysis. The structural investigations of such materials, along with other 2D materials, can be successfully carried out using the Raman spectroscopy method. One of the key elements in such research is the theoretical spectrum, which may assist in the interpretation of experimental data. In this work, the simulated Raman spectrum of 1H-MoSSe and the predicted Raman spectra for 1T, 1T’, and 1H’ polymorph modifications of MoSSe monolayers were characterized in detail with DFT calculations. The interpretation of spectral profiles was made based on the analysis of the lattice dynamics and partial phonon density of states. The presented theoretical data open the possibility of an accurate study of MoSSe polymorphs, including the control of the synthesized material quality and the characterization of samples containing a mixture of polymorphs.

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Section: Introductionmentioning

confidence: 99%

Raman Spectroscopy of Janus MoSSe Monolayer Polymorph Modifications Using Density Functional Theory

2022

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“…In contrast to the multiwalled nanotubes mentioned above, such nanotubes are expected to be stable as single-walled structures with diameters of only a few nanometers. At such small radii the finite size and curvature will subject the atoms to significant distortion, and these nanotubes are thus expected to display unique and tunable electronic properties compared to their parent monolayers [20][21][22].…”

Section: Introductionmentioning

confidence: 99%

Band structure of MoSTe Janus nanotubes

Mikkelsen

Bölle

Thygesen

et al. 2021

Phys. Rev. Materials

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“…All these Janus materials are highly thermodynamically stable and are dynamically stable with respect to rearrangements of the atoms that preserve the layered character of the material. We stress this because the dynamic stability analysis will not take into account the ability of the materials “roll up” because of the different sizes of X- and Y-atoms . The Janus materials have higher Δ Janus as compared to MoSSe, which could improve the p–n junction properties by enhancing the plasmon energies.…”

Section: Resultsmentioning

confidence: 99%