Structural Estimation and Hazard Evaluation of Potentially Explosive Residual Silanes Generated in Semiconductor Manufacturing Processes

We have proposed a scheme to analyze potentially explosive residual silanes (RS) generated in silicon-based semiconductor manufacturing processes in the Yokkaichi Plant, Kioxia Corporation, properly under an inert gas atmosphere. Thermal analysis and ballistic mortar tests revealed that the incomplete hydrolyzed RS poses the highest risk. The mass spectrum suggests that the possible structures of the major components of the RS are cyclic polychlorosilanes with the number of silicon atoms less than 16. A combination of instrumental analyses and theoretical calculations suggest that the hydrolyzed products of the RS involve Si–OH, Si–O–Si, and Si–Si moieties. Theoretical calculations predicted the substantial exergonic processes of a model compound (HO)­H2Si–SiH2(OH) to form a hydroxylsiloxane and H2.本研究提出一套分析方案，可在惰性气体氛围下，对铠侠株式会社（Kioxia Corporation）四日市工厂硅基半导体制造工艺中产生的潜在爆炸性残余硅烷（Residual Silanes, RS）进行规范分析。热分析与弹道冲击试验结果显示，不完全水解的残余硅烷风险最高。质谱分析表明，该残余硅烷主要组分的可能结构为硅原子数少于16的环状聚氯硅烷。结合仪器分析与理论计算结果可知，残余硅烷的水解产物包含Si-OH、Si-O-Si以及Si-Si官能团。理论计算预测，模型化合物(HO)H₂Si−SiH₂(OH)发生生成羟基硅氧烷与氢气的过程为显著放能过程。