Characteristic vibrational modes of a single vacancy in a zigzag carbon nanotube

H. Y. He; B. C. Pan

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Characteristic vibrational modes of a single vacancy in a zigzag carbon nanotube

机译：之字形碳纳米管中一个空位的特征振动模式

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We have applied ab initio calculations to studying phonon frequencies and the corresponding eigenmodes for zigzag carbon nanotubes with single vacancies. We find two types of vibrational modes that serve as fingerprints of the single vacancy, which may be

机译：我们已经应用了从头算的方法来研究单空位之字形碳纳米管的声子频率和相应的本征模。我们发现两种振动模式可以用作单个空位的指纹，这可能是

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《Physical review》 |2008年第7期|129-132|共4页
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H. Y. He; B. C. Pan;
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density functional theory; local density approximation; gradient and other corrections;

机译：密度泛函理论;局部密度近似;渐变和其他校正;

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1. Effects of Topological Defects and Diatom Vacancies on Characteristic Vibration Modes and Raman Intensities of Zigzag Single-Walled Carbon Nanotubes [J] . Wissam A. Saidi The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2014,第35期

机译：拓扑缺陷和硅藻空位对之字形单壁碳纳米管的特征振动模式和拉曼强度的影响
2. VIBRATIONAL CHARACTERISTICS OF ZIGZAG, ARMCHAIR AND CHIRAL CANTILEVER SINGLE-WALLED CARBON NANOTUBES [J] . Jalan S. K., Rao B. Nageswara, Gopalakrishnan S. Advanced Composites Letters . 2013,第6期

机译：之字形，扶手椅和手性悬臂梁单壁碳纳米管的振动特性
3. Unusual Low-Vibrational C=O Mode of COOH Can Distinguish between Carboxylated Zigzag and Armchair Single-Wall Carbon Nanotubes [J] . Tapas Kar, Steve Scheiner, Ajit K. Roy The journal of physical chemistry, C. Nanomaterials and interfaces . 2012,第49期

机译：COOH的异常低振动C = O模式可以区分羧基化的曲折形和扶手椅式单壁碳纳米管
4. A Continuum Model to Predict Properties of Zigzag Single-Walled Carbon Nanotubes [C] . A. Y. T. Leung, Xiang Guo, X. Q. He, Computational Mechanics . 2004

机译：曲折单壁碳纳米管性能预测的连续模型
5. Vibrational modes and thermal transformation of purified single walled carbon nanotubes. [D] . Kim, Un Jeong. 2006

机译：纯化的单壁碳纳米管的振动模式和热转化。
6. Submilligram-scale separation of near-zigzag single-chirality carbon nanotubes by temperature controlling a binary surfactant system [O] . Dehua Yang, Linhai Li, Xiaojun Wei, 2021

机译：通过温度控制二元表面活性剂系统的亚底分离近曲折单啁啾碳纳米管的分离
7. Vibrational Characteristics of Zigzag, Armchair and Chiral Cantilever Single-Walled Carbon Nanotubes [O] . S.K. Jalan, B. Nageswara Rao, S. Gopalakrishnan 2013

机译：曲折，扶手椅和手性悬臂单壁碳纳米管的振动特性
8. Simple Empirical Model for Vibrational Spectra of Single-Wall Carbon Nanotubes [R] . Garstein, Y. N. 2004

机译：单壁碳纳米管振动光谱的简单经验模型

Characteristic vibrational modes of a single vacancy in a zigzag carbon nanotube

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