Collisional Reactions of Energetic Methane Molecules with Single-Walled Carbon Nanotubes

LI Feng; XIA Yue-Yuan; ZHAO Ming-Wen; LIU Xiang-Dong; HUANG Bo-Da; TAN Zhen-Yu; JI Yan-Ju

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Collisional Reactions of Energetic Methane Molecules with Single-Walled Carbon Nanotubes

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@@ We study the collisions of energetic methane molecules with single-walled carbon nanotubes in the incident energy range from 5 to 100 eV using classical molecular dynamics simulations combined with ab initio calculations. The methane molecules can be decomposed into different hydrocarbon radicals, e.g. CHn (n = 1-3), in the collisions depending on the incident energy. Chemical functionalization of the single-walled carbon nanotubes resulting from the chemical adsorption of these hydrocarbon radicals on the outside wall of single-walled carbon nanotubes can be achieved simultaneously. Some stable adsorption configurations of hydrocarbon-functionalized single-walled carbon nanotubes are also presented based on ab initio calculations.

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《中国物理快报：英文版》 |2004年第6期|1044-1047|共4页
作者
LI Feng; XIA Yue-Yuan; ZHAO Ming-Wen; LIU Xiang-Dong; HUANG Bo-Da; TAN Zhen-Yu; JI Yan-Ju;
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School of Physics and Microelectronics, Shandong University, Jinan 250100;

Department of Physics, Taishan University, Taian 271021;

School of Physics and Microelectronics, Shandong University, Jinan 250100;

School of Physics and Microelectronics, Shandong University, Jinan 250100;

School of Physics and Microelectronics, Shandong University, Jinan 250100;

School of Information Science and Engineering, Shandong University, Jinan 250100;

School of Electrical Engineering, Shandong University, Jinan 250161;

School of Physics and Microelectronics, Shandong University, Jinan 250100;

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Collisional Reactions of Energetic Methane Molecules with Single-Walled Carbon Nanotubes

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