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T-Carbon: A Novel Carbon Allotrope
Open accessAbstract
A structurally stable crystalline carbon allotrope is predicted by means of the first-principles calculations. This allotrope can be derived by substituting each atom in diamond with a carbon tetrahedron, and possesses the same space group Fd3m as diamond, which is thus coined as T-carbon. The calculations on geometrical, vibrational, and electronic properties reveal that T-carbon, with a considerable structural stability and a much lower density 1.50 g/cm3, is a semiconductor with a direct band gap about 3.0 eV, and has a Vickers hardness 61.1 GPa lower than diamond but comparable with cubic boron nitride. Such a form of carbon, once obtained, would have wide applications in photocatalysis, adsorption, hydrogen storage, and aerospace materials.
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Georgakilas, V., Perman, J. A., Tucek, J., & Zboril, R. (2015) · Chemical Reviews · doi:10.1021/cr500304f · Cited by 2,147
Microscopic theory of hardness and design of novel superhard crystals
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Structural and Electronic Properties ofTGraphene: A Two-Dimensional Carbon Allotrope with Tetrarings
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Mechanical properties of graphyne
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Porous covalent–organic materials: synthesis, clean energy application and design
Xiang, Z., & Cao, D. (2013) · J. Mater. Chem. A · doi:10.1039/c2ta00063f · Cited by 351
Metadata
- Authors
- Sheng, X.-L., Yan, Q.-B., Ye, F., Zheng, Q.-R., & Su, G.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 2011-04-15
- Volume
- 106
- Issue
- 15
- Pages
- 155703-155703
- ISSN
- 0031-9007 (ISSN-L)
- 1079-7114
- OpenAlex
- W2066325683
- Cited by
- 541
- References
- 8
- FWCI
- 10.53
- Type
- journal article
- Language
- en
- Open access
- green
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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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