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Surface ionization mass spectrometric studies of the Li/C-60 system

机译:Li / C-60系统的表面电离质谱研究

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We have studied the Li/C-60 system by the surface ionization mass spectrometry. We have investigated a possibility of the Li@C-60 formation via the collisions between Li+ and C-60(-) 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 C-60 cage. We have determined the ionization potential of Li@C-60 complex (TP = 5.9 +/- 0.1 eV), which agrees well with the calculated value of the IP of Li@C-60. [References: 21]
机译:我们已经通过表面电离质谱研究了Li / C-60系统。我们已经研究了通过等离子体状态下的Li +和C-60(-)离子之间的碰撞形成Li @ C-60的可能性,这是由头算分子动力学模拟预测的。清楚地观察到LiC60复合物。我们的结果不能直接确定LiC60的结构,但表明Li处于C-60笼内。我们已经确定了Li @ C-60络合物的电离势(TP = 5.9 +/- 0.1 eV),这与Li @ C-60 IP的计算值非常吻合。 [参考:21]

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