| Breathing "Trap" Mechanism for C60 Nanocage |
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| 作者姓名： | LONG Zhongqu ZHOU Xiang CAI Hao |
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| 作者单位： | Key Laboratory of Artificial Micro and Nano-structures of Education / School of Physics and Technology, Wuhan University |
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| 基金项目： | Supported by the Fundamental Research Funds for National Natural Science Foundation of China(11205117);the Scientific Research Foundation for the Returned Overseas Chinese Scholars,State Education Ministry |
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| 摘 要： | A new trap mechanism has been proposed to generate H@C 60 . Buckyball excited by shaped laser pulse could have large Raman-active vibration mode A g (1), which enlarges and shrinks buckyball alternately, and raises and decreases the energy barrier repeatedly, forming a trap to capture the incoming H atom. In this trap mechanism, the A g (1) vibration mode is excited before the encapsulation process of H atom. Simulations of semiclassical electron-radiation-ion dynamics showed that the kinetic energy threshold for H atom in this mechanism was lowered from 17.51 eV to 10.51 eV, and successful encapsulation happened in the range from 10.51 eV to 15.55 eV.
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| 关 键 词： | endofullerene H@C 60 A g (1) mode trap mechanism |
Breathing “trap” mechanism for C60 nanocage |
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| LONG Zhongqu,ZHOU Xiang,CAI Hao.Breathing "Trap" Mechanism for C60 Nanocage[J].Wuhan University Journal of Natural Sciences,2013,18(4):295-299. |
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| Authors: | Zhongqu Long Xiang Zhou Hao Cai |
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| Institution: | 1. Key Laboratory of Artificial Micro- and Nano-structures of Education / School of Physics and Technology, Wuhan University, Wuhan, 430072, Hubei, China
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| Abstract: | A new trap mechanism has been proposed to generate H@C60. Buckyball excited by shaped laser pulse could have large Raman-active vibration mode Ag(1), which enlarges and shrinks buckyball alternately, and raises and decreases the energy barrier repeatedly, forming a trap to capture the incoming H atom. In this trap mechanism, the Ag(1) vibration mode is excited before the encapsulation process of H atom. Simulations of semiclassical electron-radiation-ion dynamics showed that the kinetic energy threshold for H atom in this mechanism was lowered from 17.51 eV to 10.51 eV, and successful encapsulation happened in the range from 10.51 eV to 15.55 eV. |
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