3R and 2H polytypes of MoS2: DFT and DFPT calculations of structural, optoelectronic, vibrational and thermodynamic properties
We report the results of a theoretical study on the behavior of the structural, optoelectronic, vibrational, including infrared and Raman theoretical spectra, phonon spectrum, and thermodynamic properties of 3R- and 2H- polytypes of molybdenum disulfide (MoS2) using density functional theory (DFT) c...
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| Κύριοι συγγραφείς: | , , , , , |
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| Μορφή: | article |
| Γλώσσα: | English |
| Έκδοση: |
Elsevier
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| Θέματα: | |
| Διαθέσιμο Online: | https://repositorio.ufrn.br/handle/123456789/49634 https://doi.org/10.1016/j.jpcs.2017.07.010 |
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