Photodissociation spectra of cationic xenon–silicon cluster complexesSin+Xe(n=2−13)
Photodissociation spectra of cationic xenon–silicon cluster complexesSin+Xe(n=2−13)
复制标题
阳离子氙-硅簇配合物Sin+Xe(n=2−13)的光解离谱
DOI：
10.1103/physrevb.68.035420
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发表时间：
2003
影响因子：
3.7
通讯作者：
S. Fedrigo
中科院分区：
文献类型：
--
作者：
J. Antonietti;F. Conus;A. Chátelain;S. Fedrigo
通过对氙-硅团簇阳离子复合物Si ~（+ n）的光解离谱的分析，导出了硅团簇阳离子Si ~（+ n）（n=2-13）的光吸收谱。对于n≤6和n>6，在290和700 nm（1.78至4.28 eV）之间以及在230和700 nm（1.78至5.40 eV）之间的光子波长测量光谱。Si + n团簇的电子结构和光吸收光谱的密度泛函理论的框架内计算，从优化的几何在文献中发表。给出了几种解释的实验结果和模拟之间的差异。特别是，我们解决的问题的可靠性的光解技术的目的是推导出的光吸收光谱的情况下，非常小的非金属团簇。
The photoabsorption spectra of silicon cluster cations Si + n, for n=2-13, are deduced from the analysis of the photodissociation spectra of xenon-silicon cluster cation complexes Si + nXe. The spectra are measured for photon wavelengths between 290 and 700 nm (1.78 to 4.28 eV) for n≤6 and between 230 and 700 nm (1.78 to 5.40 eV) for n>6. The electronic structures and photoabsorption spectra of the Si + n clusters are calculated within the framework of the density-functional theory, starting from optimized geometries published in the literature. Several explanations are given for the discrepancies between the experimental results and the simulations. In particular, we address the problem of the reliability of the photodissociation technique with an aim to deduce the photoabsorption spectra in the case of very small nonmetallic clusters.