Sequential clustering reactions of Si+ with SiD4: Identification of a bottleneck preventing rapid growth of hydrogenated silicon particles
Sequential clustering reactions of Si+ with SiD4: Identification of a bottleneck preventing rapid growth of hydrogenated silicon particles
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Si 与 SiD4 的连续聚类反应：识别阻止氢化硅颗粒快速生长的瓶颈
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发表时间：
1988
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通讯作者：
M. Jarrold
中科院分区：
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作者：
M. L. Mandich;W. Reents;M. Jarrold
在室温下，在傅里叶变换质谱仪的离子池中观察到原子硅-29阳离子与SiD 4的顺序簇合。成簇反应以高度特异性的方式进行。Si+最初通过顺序添加三个-SiD 2单元来生长。这三个步骤的反应速率分别为8.1±0.4、0.36±0.04和2.0±0.3×10−10 cm 3 molecule−1 s−1。这三个反应也会发生导致硅-29同位素标记损失的逆反应，取决于反应步骤，其占反应产物的约12%-15%。然后，这种集群增长机制遇到了一个关键的瓶颈，并停止。只有当SiD 4以1.0±0.3×10−13 cm 3 molecule−1 s−1的速率缓慢地双分子附着在p（SiD 4）=2.0×10−7 Torr时，才会发生进一步的聚集。Raghavachari使用从头算电子结构理论计算了各个反应途径的基本机制和能量，并在配套文件中提出。...
Sequential clustering of atomic silicon‐29 cations with SiD4 is observed at room temperature in the ion cell of a Fourier transform mass spectrometer. The clustering reactions proceed in a highly specific fashion. Si+ grows initially by sequential addition of three –SiD2 units. The measured reaction rates for these three steps are, respectively, 8.1±0.4, 0.36±0.04, and 2.0±0.3×10−10 cm3 molecule−1 s−1. A back reaction which results in loss of the silicon‐29 isotopic label also occurs for these three reactions and represents ∼12%–15% of the reaction products, depending on the reaction step. This cluster growth mechanism then encounters a critical bottleneck and ceases. Further aggregation occurs only by slow bimolecular attachment of SiD4 at a rate of 1.0±0.3×10−13 cm3 molecule−1 s−1 at p(SiD4)=2.0×10−7 Torr. The fundamental mechanisms and energetics for the individual reaction pathways have been calculated by Raghavachari using ab initio electronic structure theory and are presented in a companion paper. ...