First Principles Studies on the Interaction of a Hydrogen Atom with a Single-Walled Carbon Nanotube
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概要
- 論文の詳細を見る
We investigate the interaction of a hydrogen atom with an armchair-type, single-walled carbon nanotube, based on the density functional theory (DFT), and discuss how changes in the nanotube’s diameter affect hydrogen adsorption on the carbon nanotube. We find that because the strong $sp^{2}$-like bonding and $\pi$-bonding network are enhanced with increasing nanotube diameter, hydrogen adsorption on the carbon nanotube becomes less stable with increasing nanotube diameter. We also find that with increasing nanotube diameter, the potential energy curves approach that for hydrogen interacting with a graphene sheet. These results can be explained in terms of the hydrogen-induced changes in the local density of states of the carbon nanotube.
- Published by the Japan Society of Applied Physics through the Institute of Pure and Applied Physicsの論文
- 2003-07-15
著者
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Dino Wilson
Department Of Physics Osaka University
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NAKANISHI Hiroshi
Department of Precision Science and Technology and Applied Physics, Osaka University
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KASAI Hideaki
Department of Precision Science and Technology and Applied Physics, Osaka University
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Dino W
Department Of Physics Osaka University
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Dino Wilson
Department Of Applied Physics Osaka University
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Miura Y
Department Of Applied Physics
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SUGIMOTO Tsuyoshi
Toyota Motor Corporation
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Miura Yoshio
Department of Applied Physics, Osaka University
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Kasai Hideaki
Department Of Applied Physics Osaka University
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Miura Yu-ichi
The Institute For Soild State Physics The University Of Tokyo:department Of Physics Nagoya Universit
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Sugimoto Toyonari
Research Institute For Advanced Science And Technology Osaka Prefecture University
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Miura Yoshio
Department Of Applied Physics
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Sugimoto T
Toyota Motor Corporation
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Dino W
Department Of Applied Physics Osaka University
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Kasai Hideaki
Department Of Applied Physics Faculty Of Engineering Osaka University
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Kasai Haruo
Department Of Electronics Chiba University
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Nakanishi Hiroshi
Department Of Electronic Engineering Faculty Of Engineering Yamanashi University:(present Address) Sanken Electric Co. Ltd.
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Nakanishi Hiroshi
Department Of Biological Science And Technology Tokyo University Of Science
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Nakanishi Hiroshi
Department of Applied Physics, Graduate School of Engineering, Osaka University, Suita, Osaka 565-0871, Japan
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