Ideal strength and emergent superconductivity in a three-dimensional sp<sup>2</sup>-carbon network cT16
The design of carbon allotropes that simultaneously exhibit mechanical robustness and quantum functionalities remains a longstanding challenge. Here, we report a comprehensive first-principles study of cT16, a three-dimensional sp<sup>2</sup>-hybridized carbon network with topologically interlinked graphene-like sheets. The structure features high ideal tensile and shear strengths, with pronounced anisotropy arising from strain-induced bond rehybridization and interlayer slipping mechanisms. Electronic structure calculations reveal that cT16 is intrinsically metallic, with dispersive π-bands crossing the Fermi level. Phonon dispersion confirms its dynamical stability, and analysis of the Eliashberg spectral function yields a moderate electron-phonon coupling constant (<i>λ</i> = 0.481) and a logarithmic average frequency of 696.2 K. The superconducting transition temperature is estimated to reach 7.2 K at <i>via</i> the Allen-Dynes formula, without requiring any external doping or intercalation. Compared to existing carbon superconductors such as CaC<sub>6</sub> or boron-doped diamond, cT16 uniquely combines chemical purity, structural resilience, and intrinsic superconductivity. These findings position cT16 as a promising lightweight carbon superconductor and expand the functional landscape of three-dimensional sp<sup>2</sup>-carbon frameworks.
Authors
- Ying Xu (ORCID: https://orcid.org/0000-0002-6249-9383)
- Hao Chen (ORCID: https://orcid.org/0009-0002-1390-0625)
- Jing Wang (ORCID: https://orcid.org/0000-0001-8024-1880)
- Shan Jiang (ORCID: https://orcid.org/0000-0002-8297-0099)
- Dan Zhou (ORCID: https://orcid.org/0000-0003-1217-844X)
Institutions
- Changchun University of Science and Technology (CN)
- Changchun University (CN)
Publication Details
- Journal
- Physical Chemistry Chemical Physics
- Published
- 2025-01-01
- DOI
- https://doi.org/10.1039/d5cp03051j
- Citations
- 1
- Primary Topic
- Boron and Carbon Nanomaterials Research
- Type
- article
- Field-Weighted Citation Impact
- 0.52