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Transferability of Molecular Potentials for 2D Molybdenum Disulphide
An ability of different molecular potentials to reproduce the properties of 2D molybdenum disulphide polymorphs is examined. Structural and mechanical properties, as well as phonon dispersion of the 1H, 1T and 1T’ single-layer MoS [Formula: see text] (SL MoS [Formula: see text]) phases, were obtaine...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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MDPI
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7865456/ https://www.ncbi.nlm.nih.gov/pubmed/33494529 http://dx.doi.org/10.3390/ma14030519 |