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Two-Dimensional Tetragonal TiC Monolayer Sheet and Nanoribbons
Abstract
We report a two-dimensional tetragonal Titanium Carbide (TiC) monolayer sheet with distinguished structure and properties based on comprehensive first-principles calculations. The TiC sheet exhibits a novel zigzag-shaped buckling structure with all atoms being quasiplanar tetracoordinate, as favored by strong in-plane C2p-Ti3d bonding and synergetic out-of-plane electronic delocalization. This unique structure endows the sheet with high kinetic stability and anisotropic mechanical properties. Moreover, the TiC sheet displays orientation-dependent electronic properties derived from its special rectangular symmetry, with indirect band gap of ~0.2 eV and substantial ferromagnetism along its edges, thus promising for wide applications in nanoelectronics.
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Cites
The electronic properties of graphene
Castro Neto, A. H., Guinea, F., Peres, N. M. R., Novoselov, K. S., & Geim, A. K. (2009) · Reviews of Modern Physics · doi:10.1103/revmodphys.81.109 · Cited by 24,803
Two-dimensional gas of massless Dirac fermions in graphene
Novoselov, K. S., Geim, A. K., Morozov, S. V., Jiang, D., Katsnelson, M. I., Grigorieva, I. V., Dubonos, S. V., & Firsov, A. A. (2005) · Nature · doi:10.1038/nature04233 · Cited by 21,611
Cited by
Jiang, X., Kuklin, A. V., Baev, A., Ge, Y., Ågren, H., Zhang, H., & Prasad, P. N. (2020) · Physics Reports · doi:10.1016/j.physrep.2019.12.006 · Cited by 914
Wang, Y., Li, F., Li, Y., & Chen, Z. (2016) · Nature Communications · doi:10.1038/ncomms11488 · Cited by 328
Metadata
- Authors
- Zhang, Z., Liu, X., Yakobson, B. I., & Guo, W.
- Venue
- Journal of the American Chemical Society
- Publisher
- American Chemical Society (ACS)
- Published
- 2012-11-15
- Volume
- 134
- Issue
- 47
- Pages
- 19326-19329
- ISSN
- 0002-7863 (ISSN-L)
- 1520-5126
- OpenAlex
- W2321014971
- Cited by
- 225
- References
- 2
- FWCI
- 4.63
- Type
- journal article
- Language
- en
- Open access
- closed
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