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| Novel Superhard sp(3) Carbon Allotrope from Cold-Compressed C-70 Peapods | |
| Yang, XG; Yao, MG; Wu, XY; Liu, SJ; Chen, SL; Yang, K; Liu, R; Cui, T; Sundqvist, B; Liu, BB | |
| 2017 | |
| Source Publication | PHYSICAL REVIEW LETTERS
 |
| ISSN | 0031-9007 |
| Volume | 118Issue:24Pages:- |
| Subtype | 期刊论文 |
| Abstract | Design and synthesis of new carbon allotropes have always been important topics in condensed matter physics and materials science. Here we report a new carbon allotrope, formed from cold-compressed C-70 peapods, which most likely can be identified with a fully sp(3)-bonded monoclinic structure, here named V carbon, predicted from our simulation. The simulated x-ray diffraction pattern, near K-edge spectroscopy, and phonon spectrum agree well with our experimental data. Theoretical calculations reveal that V carbon has a Vickers hardness of 90 GPa and a bulk modulus similar to 400 GPa, which well explains the "ring crack" left on the diamond anvils by the transformed phase in our experiments. The V carbon is thermodynamically stable over a wide pressure range up to 100 GPa, suggesting that once V carbon forms, it is stable and can be recovered to ambient conditions. A transition pathway from peapod to V carbon has also been suggested. These findings suggest a new strategy for creating new sp(3)-hybridized carbon structures by using fullerene@nanotubes carbon precursor containing odd-numbered rings in the structures. |
| Keyword | Augmented-wave Method Molecular-mechanics Encapsulated C-60 Crystal-structure Building-blocks High-pressure Nanotubes Graphite Dynamics Diamond |
| DOI | 10.1103/PhysRevLett.118.245701 |
| Indexed By | SCI |
| WOS Keyword | AUGMENTED-WAVE METHOD ; MOLECULAR-MECHANICS ; ENCAPSULATED C-60 ; CRYSTAL-STRUCTURE ; BUILDING-BLOCKS ; HIGH-PRESSURE ; NANOTUBES ; GRAPHITE ; DYNAMICS ; DIAMOND |
| Language | 英语 |
| WOS ID | WOS:000403341900005 |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.sinap.ac.cn/handle/331007/28751 |
| Collection | 中科院上海应用物理研究所2011-2019年 |
| Recommended Citation GB/T 7714 | Yang, XG,Yao, MG,Wu, XY,et al. Novel Superhard sp(3) Carbon Allotrope from Cold-Compressed C-70 Peapods[J]. PHYSICAL REVIEW LETTERS,2017,118(24):-. |
| APA | Yang, XG.,Yao, MG.,Wu, XY.,Liu, SJ.,Chen, SL.,...&Liu, BB.(2017).Novel Superhard sp(3) Carbon Allotrope from Cold-Compressed C-70 Peapods.PHYSICAL REVIEW LETTERS,118(24),-. |
| MLA | Yang, XG,et al."Novel Superhard sp(3) Carbon Allotrope from Cold-Compressed C-70 Peapods".PHYSICAL REVIEW LETTERS 118.24(2017):-. |
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| Novel Superhard sp(3（1955KB） | 期刊论文 | 作者接受稿 | 开放获取 | CC BY-NC-SA | View Download | |
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