New Carbon Allotropes with Helical Chains of Complementary Chirality Connected by Ethene-type pi-Conjugation
文献类型：期刊论文
| 作者 | Wang, JT ; Chen, CF ; Kawazoe, Y |
| 刊名 | SCIENTIFIC REPORTS
 |
| 出版日期 | 2013 |
| 卷号 | 3 |
| ISSN号 | 2045-2322 |
| 通讯作者 | Wang, JT (reprint author), Chinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China. |
| 中文摘要 | We here identify by ab initio calculations two distinct three-dimensional three-connected (3D3C) chiral framework structures of carbon in R (3) over barm and I4(1)/ amd symmetry, respectively, which comprise 3-fold and 4-fold helical chains with complementary chirality. The helical carbon chains are connected by an ethene-type planar pi-conjugation, and the resulting structures contain a network of sp(2) carbon bonds with one-third being double bonds between the chains and two-thirds single bonds along the chains. Phonon and electronic band structure calculations show that these chiral carbene structures are dynamically stable and exhibit a large band gap (2.4 similar to 2.9 eV). This semiconducting nature reflects a key distinction from previously proposed metallic isomers of helical or zigzag carbon chains with twisted pi states that are dynamically unstable. The present results solve the long-sought 3D3C all-sp(2) carbon structures and may help design other covalent bonding networks. |
| 资助信息 | NSFC of China [11274356]; Ministry of Environmental Protection of China [200909086, 201109037]; CAS [KJCX2-YW-W22]; DOE [DE-NA0001982]; CREST |
| 语种 | 英语 |
| 公开日期 | 2014-01-16 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/57244]  |
| 专题 | 物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文 |
| 推荐引用方式 GB/T 7714 | Wang, JT,Chen, CF,Kawazoe, Y. New Carbon Allotropes with Helical Chains of Complementary Chirality Connected by Ethene-type pi-Conjugation[J]. SCIENTIFIC REPORTS,2013,3. |
| APA | Wang, JT,Chen, CF,&Kawazoe, Y.(2013).New Carbon Allotropes with Helical Chains of Complementary Chirality Connected by Ethene-type pi-Conjugation.SCIENTIFIC REPORTS,3. |
| MLA | Wang, JT,et al."New Carbon Allotropes with Helical Chains of Complementary Chirality Connected by Ethene-type pi-Conjugation".SCIENTIFIC REPORTS 3(2013). |
入库方式： OAI收割
来源：物理研究所
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