Standard enthalpies of formation of finite-length (5,5) single-walled carbon nanotube
文献类型：期刊论文
| 作者 | C. H. Sun ; G. Q. Lu ; H. M. Cheng |
| 刊名 | Journal of Nanoparticle Research
 |
| 出版日期 | 2008 |
| 卷号 | 10期号:6页码:1037-1043 |
| 关键词 | standard enthalpy of formation finite-length carbon nanontube stability modeling and simulation density function theory molecular-orbital methods electronic-structure thermodynamic properties energy fullerenes hydrocarbons aromaticity stability |
| ISSN号 | 1388-0764 |
| 中文摘要 | Standard enthalpies of formation (Delta(f)H(0)) of finite-length ( 5, 5) single- walled carbon nanotubes ( SWNTs) are calculated with the framework of density functional theory. Approximate expressions of (Delta(f)H(0)) have been proposed for both H-terminated and C30- capped ( 5, 5) SWNTs, based upon which the calculated values of (Delta(f)H(0)) have been reproduced within several kilocalories per mole. It is also found that standard enthalpies of formation contributed by per carbon, Delta(f)H(0) (C), oscillate with the increment of the cluster size, suggesting the dependence of the relative stability on the axial length. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://210.72.142.130/handle/321006/33083]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 推荐引用方式 GB/T 7714 | C. H. Sun,G. Q. Lu,H. M. Cheng. Standard enthalpies of formation of finite-length (5,5) single-walled carbon nanotube[J]. Journal of Nanoparticle Research,2008,10(6):1037-1043. |
| APA | C. H. Sun,G. Q. Lu,&H. M. Cheng.(2008).Standard enthalpies of formation of finite-length (5,5) single-walled carbon nanotube.Journal of Nanoparticle Research,10(6),1037-1043. |
| MLA | C. H. Sun,et al."Standard enthalpies of formation of finite-length (5,5) single-walled carbon nanotube".Journal of Nanoparticle Research 10.6(2008):1037-1043. |
入库方式： OAI收割
来源：金属研究所
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