| Studies of bromine modified single-walled carbon nanotubes using photoelectron spectroscopy and density-functional theory |
| Gao B(高斌); Zhong J(钟俊) ; Wu ZY(吴自玉); Qian HJ(钱海杰); Dong YH(董宇辉); Gao, B; Zhong, J; Song, L; Wu, ZY; Xie, SS; Qian, HJ; Dong, YH; Luo, Y
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| 2006
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| 发表期刊 | RADIATION PHYSICS AND CHEMISTRY
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| 卷号 | 75期号:11页码:1939-1942 |
| 通讯作者 | Chinese Acad Sci, Inst High Energy Phys, Beijing Synchrotron Radiat Facil, Beijing 100049, Peoples R China
; Chinese Acad Sci, Inst Phys, Beijing 100080, Peoples R China
; Natl Ctr NanoSci & Technol, Beijing 100080, Peoples R China
; Univ Stockholm, Royal Inst Technol, S-10691 Stockholm, Sweden
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| 摘要 | Many applications based on single-walled carbon nanotubes (SWNTs) require chemical modification of carbon nanotube to optimize the functionalities of the device. In this contribution we discuss the properties of SWNTs immersed in a hydrobromic acid (HBr) solution. Changes of atomic and electronic structures of bromine modified SWNTs were investigated using photoelectron spectroscopy (PES). Spectra of SWNTs before and after immersion in the HBr solution exhibit different features. To understand the mechanism of interaction between SWNTs and bromine, we performed density-functional theory calculations to reveal the structural changes, adsorption energy and chemical bonding information of SWNTs interacting with bromine. In addition, based on the Gelius model, from the molecular orbitals (MOs), we calculated ultraviolet photoelectron spectra (UPS) of SWNTs with and without functionalizing and compared them with the experiment. The present study is a first step in the understanding of the functionalization mechanism of carbon nanotubes. (c) 2006 Elsevier Ltd. All rights reserved. |
| 文章类型 | Article; Proceedings Paper
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| 关键词 | nanotubes
density-functional theory
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| 学科领域 | Chemistry; Nuclear Science & Technology; Physics
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| 研究领域[WOS] | Chemistry
; Nuclear Science & Technology
; Physics
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| DOI | 10.1016/j.radphyschem.2005.07.064
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| URL | 查看原文
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| 语种 | 英语
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| WOS类目 | Chemistry, Physical
; Nuclear Science & Technology
; Physics, Atomic, Molecular & Chemical
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| WOS记录号 | WOS:000242185600096
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| 引用统计 |
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| 文献类型 | 期刊论文
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| 条目标识符 | http://ir.ihep.ac.cn/handle/311005/239587
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| 专题 | 多学科研究中心
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| 作者单位 | 中国科学院高能物理研究所
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推荐引用方式
GB/T 7714 |
Gao B,Zhong J,Wu ZY,et al. Studies of bromine modified single-walled carbon nanotubes using photoelectron spectroscopy and density-functional theory[J]. RADIATION PHYSICS AND CHEMISTRY,2006,75(11):1939-1942.
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| APA |
高斌.,钟俊.,吴自玉.,钱海杰.,董宇辉.,...&Luo, Y.(2006).Studies of bromine modified single-walled carbon nanotubes using photoelectron spectroscopy and density-functional theory.RADIATION PHYSICS AND CHEMISTRY,75(11),1939-1942.
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| MLA |
高斌,et al."Studies of bromine modified single-walled carbon nanotubes using photoelectron spectroscopy and density-functional theory".RADIATION PHYSICS AND CHEMISTRY 75.11(2006):1939-1942.
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