The DOI matches its Crossref record; 45 of the 45 references it cites were found in a registry or an index.
Vibrational and mechanical properties of single layer MXene structures: a first-principles investigation
Abstract
MXenes, carbides, nitrides and carbonitrides of early transition metals are the new members of two dimensional materials family given with a formula of [Formula: see text] X n . Recent advances in chemical exfoliation and CVD growth of these crystals together with their promising performance in electrochemical energy storage systems have triggered the interest in these two dimensional structures. In this work, we employ first principles calculations for n = 1 structures of Sc, Ti, Zr, Mo and Hf pristine MXenes and their fully surface terminated forms with F and O. We systematically investigated the dynamical and mechanical stability of both pristine and fully terminated MXene structures to determine the possible MXene candidates for experimental realization. In conjunction with an extensive stability analysis, we report Raman and infrared active mode frequencies for the first time, providing indispensable information for the experimental elaboration of MXene field. After determining dynamically stable MXenes, we provide their phonon dispersion relations, electronic and mechanical properties.
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Cited by
Synthesis, structure, properties and applications of MXenes: Current status and perspectives
Ronchi, R. M., Arantes, J. T., & Santos, S. F. (2019) · Ceramics International · doi:10.1016/j.ceramint.2019.06.114 · Cited by 698
Ti3C2Tx MXene-Based Flexible Piezoresistive Physical Sensors
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Rational Design of Flexible Two-Dimensional MXenes with Multiple Functionalities
Fu, Z., Wang, N., Legut, D., Si, C., Zhang, Q., Du, S., Germann, T. C., Francisco, J. S., & Zhang, R. (2019) · Chemical Reviews · doi:10.1021/acs.chemrev.9b00348 · Cited by 396
Ling, C., Shi, L., Ouyang, Y., & Wang, J. (2016) · Chemistry of Materials · doi:10.1021/acs.chemmater.6b03972 · Cited by 355
Chandrasekaran, A., Mishra, A., & Singh, A. K. (2017) · Nano Letters · doi:10.1021/acs.nanolett.7b01035 · Cited by 292
Metadata
- Authors
- Yorulmaz, U., Özden, A., Perkgöz, N. K., Ay, F., & Sevik, C.
- Venue
- Nanotechnology
- Publisher
- IOP Publishing
- Published
- 2016-07-05
- Volume
- 27
- Issue
- 33
- Pages
- 335702
- ISSN
- 0957-4484 (ISSN-L)
- 1361-6528
- OpenAlex
- W2468739485
- Cited by
- 355
- References
- 45
- FWCI
- 8.59
- Type
- journal article
- Language
- en
- Open access
- closed
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- Yorulmaz, U., Özden, A., Perkgöz, N. K., Ay, F., & Sevik, C. (2016). Vibrational and mechanical properties of single layer MXene structures: a first-principles investigation. Nanotechnology. https://doi.org/10.1088/0957-4484/27/33/335702
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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