自压缩稳定凝胶模型中带正电金属团簇的破碎

M. Payami
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引用次数: 0

摘要

利用自压缩稳定凝胶模型,计算了银团簇二元破碎的解离能和势垒高度。在计算的每一步中,我们都使用了簇的松弛状态大小和能量。双荷银团簇的结果预测了一个临界尺寸,在这个临界尺寸上,蒸发主导着裂变,与实验结果很好地吻合。通过与实验的解离能和裂变势垒高度的比较,我们得出结论,在实验中,碎裂发生在团簇电离后预期的完全结构弛豫之前。在Ag$_N^{4+}$团簇的衰变中,结果预测在较小的团簇中,电荷对称裂变过程占主导地位,而在足够大的团簇中,电荷不对称裂变过程占主导地位。
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Fragmentation of positively charged metal clusters in stabilized jellium model with self-compression
Using the stabilized jellium model with self-compression, we have calculated the dissociation energies and the barrier heights for the binary fragmentation of charged silver clusters. At each step of calculations, we have used the relaxed-state sizes and energies of the clusters. The results for the doubly charged Ag clusters predict a critical size, at which evaporation dominates the fission, in good agreement with the experiment. Comparing the dissociation energies and the fission barrier heights with the experimental ones, we conclude that in the experiments the fragmentation occurs before the full structural relaxation expected after the ionization of the cluster. In the decays of Ag$_N^{4+}$ clusters, the results predict that the charge-symmetric fission processes are dominant for smaller clusters, and the charge-asymmetric fission processes become dominant for sufficiently larger clusters.
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