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| (SiO2)n团簇的基态能量和结构 | |
| 引用本文： | 王诚,刘磊,李郁芬. (SiO2)n团簇的基态能量和结构[J]. 物理化学学报, 1999, 15(2): 143-149. DOI: 10.3866/PKU.WHXB19990210 |
| 作者姓名： | 王诚 刘磊 李郁芬 |
| 作者单位： | Department of Physics and State Key Joint Laboratory for Materials Modification by Laser,Ion and Electron Beams,Fudan University,Shanghai 200433 |
| 摘 要： | 应用遗传算法对二氧化硅团簇（SiO2）n（n≤20）的结构进行了优化计算。分析讨论了结构和结合能随团簇尺寸的变化规律，发现（SiO2）n团簇系列不存在明显的幻数，并在n≤20的范围内，不呈现出相应大块物质的结构特征， |
| 关 键 词： | 二氧化硅团簇 团簇结构 遗传算法 |
| 收稿时间： | 1998-04-23 |
| 修稿时间： | 1998-07-15 |
Energies and Structures of (SiO_2)n Clusters |
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| Wang Cheng, Liu Lei, Li Yufen. Energies and Structures of (SiO_2)n Clusters[J]. Acta Physico-Chimica Sinica, 1999, 15(2): 143-149. DOI: 10.3866/PKU.WHXB19990210 | |
| Authors: | Wang Cheng Liu Lei Li Yufen |
| Affiliation: | Department of Physics and State Key Joint Laboratory for Materials Modification by Laser,Ion and Electron Beams,Fudan University,Shanghai 200433 |
| Abstract: | The energies and structures of (SiO2)n clusters bound by a reiable empirical potential function have been studied A genetic algorithm has been used to search for the global minima on the empirical potential potential surface.The dependence of energy and structure of (SiO2 )n clusters on cluster size has been analysized and discussed,the results sliow that no magic numbers in (SiO2)nclusters obviously exist, and, in the range of n<20, there are no evidence for (SiO2)n to show the structural characters of the correspondmg bulk materials. |
| Keywords: | Silica clusters Cluster structures Genetic algorithm |
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