Computational study on SiH4 dissociation channels and H abstraction reactions
Computational study on SiH4 dissociation channels and H abstraction reactions
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SiH4解离通道和H夺取反应的计算研究
DOI：
10.7567/jjap.55.07ld07
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发表时间：
2016
影响因子：
1.5
通讯作者：
M. Hori
中科院分区：
文献类型：
--
作者：
T. Hayashi;K. Ishikawa;M. Sekine;M. Hori
用计算化学方法研究了SiH4的初级解离通道。结果表明其性质与CH4非常相似。主要解离产物为SiH2，第二解离产物为SiH3。SiH是SiH3通过电子激发分解成SiH + H2生成的。同时计算了SiH4、Si2H6、Si3H8和Si9H14（100）簇模型中H和SiH3的吸氢反应。吸氢反应的能垒低于SiH3吸氢反应。这一结果对SiH4/H2工艺等离子体中的沉积具有重要意义。
The primary dissociation channels of SiH4 were investigated using computational chemistry. The results showed properties very similar to those of CH4. The main dissociation product was SiH2 and the second dissociation product was SiH3. SiH was produced through SiH3 to SiH + H2 dissociation by electronic excitation. H abstraction reactions by H and SiH3 were also calculated for SiH4, Si2H6, Si3H8, and Si9H14(100) cluster models. The energy barriers of H abstraction reactions were lower than those of SiH3 abstraction reactions. This result is considerably important for deposition in SiH4/H2 process plasma.