The DOI matches its Crossref record; 64 of the 64 references it cites were found in a registry or an index.
A Comparative Study of Lattice Dynamics of Three- and Two-Dimensional MoS2
Open accessAbstract
This paper presents a comparative study of the lattice dynamics of three-dimensional layered MoS 2 and two-dimensional single layer MoS 2 based on the density functional theory. A comprehensive analysis of energetics and optimized structure parameters is performed using different methods. It is found that the van der Waals attraction between layers of three-dimensional (3D) layered MoS 2 is weak but is essential to hold the layers together with the equilibrium interlayer spacing. Cohesive energy, phonon dispersion curves, and corresponding density of states and related properties, such as Born-effective charges, dielectric constants, Raman and infrared active modes are calculated for 3D layered as well as 2D single layer MoS 2 using their optimized structures. These calculated values are compared with the experimental data to reveal interesting dimensionality effects. The absence of a weak interlayer interaction in 2D single layer MoS 2 results in the softening of some of Raman active modes.
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Cited by
Temperature-Dependent Raman Studies and Thermal Conductivity of Few-Layer MoS2
Sahoo, S., Gaur, A. P. S., Ahmadi, M., Guinel, M. J.-F., & Katiyar, R. S. (2013) · The Journal of Physical Chemistry C · doi:10.1021/jp402509w · Cited by 710
MoS 2 Moiré Superlattice for Hydrogen Evolution Reaction
Jiang, Z., Zhou, W., Hong, A., Guo, M., Luo, X., & Yuan, C. (2019) · ACS Energy Letters · doi:10.1021/acsenergylett.9b02023 · Cited by 135
Metadata
- Authors
- Ataca, C., Topsakal, M., Aktürk, E., & Ciraci, S.
- Venue
- The Journal of Physical Chemistry C
- Publisher
- American Chemical Society (ACS)
- Published
- 2011-08-25
- Volume
- 115
- Issue
- 33
- Pages
- 16354-16361
- ISSN
- 1932-7447 (ISSN-L)
- 1932-7455
- OpenAlex
- W2047644073
- Cited by
- 353
- References
- 64
- FWCI
- 10.84
- Type
- journal article
- Language
- en
- Open access
- green
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