Novel Superhard sp(3) Carbon Allotrope from Cold-Compressed C-70 Peapods
文献类型：期刊论文
| 作者 | Yang, XG; Yao, MG; Wu, XY; Liu, SJ; Chen, SL; Yang, K; Liu, R; Cui, T; Sundqvist, B; Liu, BB |
| 刊名 | PHYSICAL REVIEW LETTERS
 |
| 出版日期 | 2017 |
| 卷号 | 118期号:24页码:- |
| 关键词 | Augmented-wave Method Molecular-mechanics Encapsulated C-60 Crystal-structure Building-blocks High-pressure Nanotubes Graphite Dynamics Diamond |
| ISSN号 | 0031-9007 |
| DOI | 10.1103/PhysRevLett.118.245701 |
| 文献子类 | 期刊论文 |
| 英文摘要 | 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. |
| WOS关键词 | AUGMENTED-WAVE METHOD ; MOLECULAR-MECHANICS ; ENCAPSULATED C-60 ; CRYSTAL-STRUCTURE ; BUILDING-BLOCKS ; HIGH-PRESSURE ; NANOTUBES ; GRAPHITE ; DYNAMICS ; DIAMOND |
| 语种 | 英语 |
| WOS记录号 | WOS:000403341900005 |
| 源URL | [http://ir.sinap.ac.cn/handle/331007/28751]  |
| 专题 | 上海应用物理研究所_中科院上海应用物理研究所2011-2017年 |
| 推荐引用方式 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):-. |
入库方式： OAI收割
来源：上海应用物理研究所
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