## 摘要

H, H_{2}, and SiH_{x}
^{+} (x ≤ 4) ions coexist under plasma-enhanced chemical vapor deposition (PECVD) conditions. We have studied the kinetics of their interactions by high-level quantum chemical and statistical theory calculations, and compared the results with classical Langevin values (∼2 × 10^{-9} cm^{3} molecule^{-1} s^{-1} independent of temperature). The results indicate that, for H capturing by SiH_{x}
^{+} (x ≤ 4), both theories agree within a factor of 2-4, whereas for H_{2} capturing by SiH_{x}
^{+} (x ≤ 3), the modern theory gives higher and weakly temperature-dependent values by up to more than one order of magnitude, attributable to reaction path degeneracies and increased entropies of activation. The heats of formation and structural parameters of SiH_{x}
^{+} ions (x ≤ 5) in this work agree well with available experimental data. For practical applications, we have provided tables of rate constants for modeling various processes of relevance to the PECVD of a-Si:H films.

原文 | English |
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文章編號 | 026101 |

期刊 | Japanese Journal of Applied Physics |

卷 | 56 |

發行號 | 2 |

DOIs | |

出版狀態 | Published - 1 二月 2017 |