Li/C60体系的表面电离质谱研究

A. Đerić, M. Veljković, O. M. Nešković, M. Miletić, K. Zmbov
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引用次数: 4

摘要

摘要采用表面电离质谱法对Li/C60体系进行了研究。我们研究了等离子体态下Li+和C60−离子碰撞形成Li@C60的可能性,这是由从头算分子动力学模拟预测的。LiC60复合物被明确地观察到。我们的结果不能直接确定LiC60的结构,但表明Li在C60笼内。我们测定了Li@C60配合物的电离势(IP = 5.9±0.1 eV),与Li@C60的计算值吻合得很好。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Surface Ionization Mass Spectrometric Studies of the Li/C60 System
Abstract We have studied the Li/C60 system by the surface ionization mass spectrometry. We have investigated a possibility of the Li@C60 formation via the collisions between Li+and C60 − ions in a plasma state, which was predicted by an ab initio molecular dynamics simulation. The LiC60 complex was unambiguously observed. Our results do not allow direct determination of the LiC60 structure but indicate that Li is inside the C60 cage. We have determined the ionization potential of Li@C60 complex (IP = 5.9 ± 0.1 eV), which agrees well with the calculated value of the IP of Li@C60.
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