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题名: Experimental and theoretical investigation on binary semiconductor clusters of Bi/Si, Bi/Ge, and Bi/Sn
作者: Sun, ST;  Liu, HT;  Tang, ZC
刊名: JOURNAL OF PHYSICAL CHEMISTRY A
发表日期: 2006-04-20
DOI: 10.1021/jp057242b
卷: 110, 期:15, 页:5004-5009
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Physical ;  Physics, Atomic, Molecular & Chemical
研究领域[WOS]: Chemistry ;  Physics
英文摘要: BimMn- (M = Si, Ge, Sn) binary cluster anions are generated by using laser ablation on mixtures of Bi and M (M = Si, Ge, Sn) samples and studied by reflectron time-of-flight mass spectrometer (RTOF-MS) in the gas phase. Some magic number clusters are present in the mass spectra which indicate that they are in stable structures. For small anions (m + n <= 6), their structures are investigated with the DFT method and the energetically lowest lying structures are obtained. For the binary anionic clusters with the same composition containing Si, Ge, and Sri, they share similar geometric and electronic structure in the small size except that BiSi3-, BiSi5-, Bi2Si2-, Bi2Si3-, and Bi4Sn2- are different for the lowest energetic structures, and the ground states for all the anions are in their lowest spin states. The calculated VDE (vertical detachment energy) and binding energy confirm the obviously magic number cluster of BiM4- (M = Si, Ge, Sn), which agrees with the experimental results.
关键词[WOS]: SMALL SILICON CLUSTERS ;  TIN-DOPED BISMUTH ;  PHOTOELECTRON-SPECTROSCOPY ;  MOLECULAR-DYNAMICS ;  EQUILIBRIUM STRUCTURES ;  THERMOELECTRIC FIGURE ;  ELECTRONIC-STRUCTURES ;  FINITE-TEMPERATURE ;  MASS-SPECTROMETRY ;  SI CLUSTERS
语种: 英语
WOS记录号: WOS:000236991900008
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/140221
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Chinese Acad Sci, Inst Chem, Ctr Mol Sci, State Key Lab Mol React Dynam, Beijing 100080, Peoples R China

Recommended Citation:
Sun, ST,Liu, HT,Tang, ZC. Experimental and theoretical investigation on binary semiconductor clusters of Bi/Si, Bi/Ge, and Bi/Sn[J]. JOURNAL OF PHYSICAL CHEMISTRY A,2006,110(15):5004-5009.
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