Investigation into the mechanical properties of single-walled carbon nanotube heterojunctions

文献信息

发布日期 2013-05-17
DOI 10.1039/C3CP51340H
影响因子 3.676
作者

Wen-Jay Lee, Wan-Sheng Su


查看原文

摘要

The mechanical properties of finite-length (6,0)/(8,0) single-walled carbon nanotube (SWCNT) heterojunctions with respect to different kinds of connection segments, either coaxial or bias, are investigated using molecular dynamics simulation calculations. It is found that the resulting significant deformation of structure and significant drop of stress under yielding strain is due to the strain localization. Moreover, the deformation is occurred below the heptagon ring in the thinner segment of the heterojunctions under tension at different temperatures, whereas under compression it occurs on the heptagon ring. The computed atomic bond number distribution and radius distribution function are applied to determine the deformed atomic structure. Finally, with increasing temperature, the yielding stresses decrease for both coaxial and bias heterojunctions under tension and compression, while the dependence of temperature on the Young's modulus of the heterojunctions is only observed in the case of tension.

相关文献

Ab initio study of hydrogen chemisorption in nitrogen-doped carbon nanotubes

Julian David Correa, Elizabeth Florez, Miguel Eduardo Mora-Ramos

2016-08-18 Paper

DOI: 10.1039/C6CP04531F

A robust salt-tolerant superoleophobic aerogel inspired by seaweed for efficient oil–water separation in marine environments

Yuqi Li, Hui Zhang, Jiandong Zhuang, Lihui Chen

2016-07-26 Paper

DOI: 10.1039/C6CP04284H

Hydrogen motions in defective graphene: the role of surface defects

Daniele Pontiroli, Mónica Jiménez-Ruiz, Mark Johnson, Matteo Aramini, Mattia Gaboardi, Stewart F. Parker, Mauro Riccó, Stéphane Rols

2016-08-22 Communication

DOI: 10.1039/C6CP04727K

A new perspective on the electron transfer: recovering the Butler–Volmer equation in non-equilibrium thermodynamics

Wolfgang Dreyer, Clemens Guhlke, Rüdiger Müller

2016-07-25 Paper

DOI: 10.1039/C6CP04142F

Photogenerated triplet states in supramolecular porphyrin ladder assemblies: an EPR study

Sabine Richert, Martin D. Peeks, Claudia E. Tait, Harry L. Anderson, Christiane R. Timmel

2016-08-17 Communication

DOI: 10.1039/C6CP04444A

Fluorinated photopolymer waveguide thermo-optic switches with loss-compensation function based on erbium-containing cladding structure

Yang Zheng, Changming Chen, Jihou Wang, Zuosen Shi, Zhenzhen Cai, Xiaoqiang Sun, Fei Wang, Zhanchen Cui, Daming Zhang

2016-08-22 Paper

DOI: 10.1039/C6CP03550G

您可能还喜欢

化合物问答

什么是3-表南美楝属二醇(CAS号:19942-04-2)?

3-表南美楝属二醇是一种具有特定立体化学结构的化合物,其分子式为C31H52O2,属于甾醇类化合物。它具有光学活性,是一种复杂的有机分子,主要存在于一些植物中。

19942-04-2(3S,5R,8R,9R,10R,13R...
化合物问答

3-羧基-5-碘苯甲酸甲酯(CAS号:50765-22-5)应用于哪些行业?

3-羧基-5-碘苯甲酸甲酯主要应用于医药行业,作为合成某些药物中间体的重要原料。此外,它还可能用于聚合物的改性、传感器的制备以及半导体材料的制备等领域。

50765-22-5Methyl 3-hydroxy-5-i...
化合物问答

什么是3-Bromoindolin-2-one(CAS号:22942-87-6)?

3-Bromoindolin-2-one是一种含有溴代基团的吲哚酮衍生物,分子式为C9H7BrNO。它是一种无色固体,具有一定的挥发性,熔点为158-159°C...

22942-87-63-Bromoindolin-2-one
化合物问答

如何处理含有L-Lysyl-L-phenylalanyl-L-isoleucylglycyl-L-leucyl-L-methioninamide(CAS号:2990-43-4)的废料?

对于含有该化合物的废液,应先进行中和处理,然后根据其毒性和活性选择合适的处置方法。可以考虑焚烧处理或由专业的化学品废物处理公司进行无害化处理。处理过程中需注意环...

2990-43-4L-Lysyl-L-phenylalan...
化合物问答

ANGIOTENSIN 1/2 + A (2 - 8)(CAS号:51833-76-2)的物理化学性质是什么?

ANGIOTENSIN 1/2 + A (2 - 8)是一种蛋白质类化合物,具有典型的蛋白质性质。它的分子量约为5900 Da。该化合物在水中具有一定的溶解性,...

51833-76-2ANGIOTENSIN 1/2 + A ...
化合物问答

如何储存2-甲基硫代嘧啶-5-硼酸频那酯(CAS号:940284-18-4)?

应将该化合物存放在阴凉干燥、通风良好的地方,避免阳光直射。建议将化合物密封保存在避光的、干燥的容器中,远离火源和高温环境。

940284-18-42-(Methylthio)-5-(4,...
化合物问答

什么是苏丹红IV氘代物 标准品(CAS号:1014689-18-9)?

苏丹红IV氘代物 标准品是一种含有氘代标记的苏丹红IV化合物,是一种用于化合物分析、结构确证以及代谢研究的标准物质。

1014689-18-91-[(E)-{2-Methyl-4-[...
化合物问答

(+)-2-Amino-6-propionamido-d3-tetrahydrobenzothiazole(CAS号:1217680-69-7)适用哪些法规指南?

该化合物需要遵循《全球化学品统一分类和标签制度》(GHS)中的分类和标签要求,具体分类需依据其毒性和物理化学性质。此外,还需要符合《欧盟化学品注册、评估、授权和...

1217680-69-7(+)-2-Amino-6-propio...
化合物问答

如何储存2-氨基-2-(2-吡啶)乙酸乙酯(CAS号:55243-15-7)?

2-氨基-2-(2-吡啶)乙酸乙酯应储存于阴凉、干燥、通风良好的环境中,避免高温和光照。应使用密封容器储存,并远离易燃物、氧化剂和其他危险化学品。

55243-15-7Ethyl 2-amino-2-(pyr...
化合物问答

3-羟基-4-甲氧基吡啶-2-羧酸(CAS号:210300-09-7)的主要用途是什么?

3-羟基-4-甲氧基吡啶-2-羧酸主要用于合成其他有机化合物,如药物合成、农药合成和染料合成等。此外,它还可用作中间体和试剂,在化学研究领域也有一定的应用。

210300-09-73-Hydroxy-4-methoxy-...

来源期刊

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
自引率: 10.3%
年发文量: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

推荐供应商

免责声明
本页面提供的学术期刊信息仅供参考和研究使用。我们与任何期刊出版商均无关联,也不处理投稿事宜。如有投稿相关咨询,请直接联系相关期刊出版商。
如发现页面信息有误,请发送邮件至 support@chemtradehub.com 联系我们。我们将及时核实并处理您的问题。