Article ; Online: Stability and Strength of Monolayer Polymeric C
Nano letters
2023 Volume 23, Issue 2, Page(s) 652–658
Abstract: Two-dimensional fullerene networks have been synthesized in several forms, and it is unknown which monolayer form is stable under ambient conditions. Using first-principles calculations, I show that the believed stability of the quasi-tetragonal phases ... ...
| Abstract | Two-dimensional fullerene networks have been synthesized in several forms, and it is unknown which monolayer form is stable under ambient conditions. Using first-principles calculations, I show that the believed stability of the quasi-tetragonal phases is challenged by mechanical, dynamic, or thermodynamic stability. For all temperatures, the quasi-hexagonal phase is thermodynamically the least stable. However, the relatively high dynamic and mechanical stabilities suggest that the quasi-hexagonal phase is intrinsically stronger than the other phases under various strains. The origin of the high stability and strength of the quasi-hexagonal phase can be attributed to the strong covalent C-C bonds that strongly hold the linked C |
|---|---|
| Language | English |
| Publishing date | 2023-01-11 |
| Publishing country | United States |
| Document type | Journal Article |
| ISSN | 1530-6992 |
| ISSN (online) | 1530-6992 |
| DOI | 10.1021/acs.nanolett.2c04497 |
| Database | MEDical Literature Analysis and Retrieval System OnLINE |
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