## 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 |
---|---|

文章編號 | 026101 |

期刊 | Japanese journal of applied physics |

卷 | 56 |

發行號 | 2 |

DOIs | |

出版狀態 | Published - 2月 2017 |

## 指紋

深入研究「Capturing H and H_{2}by SiH

_{x}

^{+}(x ≤ 4) ions: Comparison between Langevin and quantum statistical models」主題。共同形成了獨特的指紋。