Dissociation of hydrofluorocarbon molecules after electron impact in plasma
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arXiv
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| Main Authors: | , , , , , , , , |
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| Format: | Preprint |
| Published: |
2024
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| _version_ | 1866916131837575168 |
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| author | Makhov, Dmitry V. Armstrong, Gregory Chuang, Hsiao-Han Ambalampitiya, Harin Lemishko, Kateryna Mohr, Sebastian Nelson, Anna Tennyson, Jonathan Shalashilin, Dmitrii |
| author_facet | Makhov, Dmitry V. Armstrong, Gregory Chuang, Hsiao-Han Ambalampitiya, Harin Lemishko, Kateryna Mohr, Sebastian Nelson, Anna Tennyson, Jonathan Shalashilin, Dmitrii |
| contents | The process of dissociation for two hydrofluorocarbon molecules in low triplet states excited by electron impact in plasma is investigated by ab initio Molecular Dynamics (AIMD). The interest in dissociation of hydrofluorocarbons in plasma is motivated by their role in plasma etching in microelectronic technologies. Dissociation of triplet states is very fast, and the reaction products can be predicted. In this work, it was found that higher triplet states relax into the lowest triplet state within a few femtoseconds due to nonadiabatic dynamics, so that the simplest ab initio MD on the lowest triplet state seems to give a reasonable estimate of the reaction channels branching ratios. We provide evidence for the existence of simple rules for the dissociation of hydrofluorocarbon molecules in triplet states. For molecules with a double bond, the bonds adjacent to it dissociate faster than the other bonds. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2402_12473 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Dissociation of hydrofluorocarbon molecules after electron impact in plasma Makhov, Dmitry V. Armstrong, Gregory Chuang, Hsiao-Han Ambalampitiya, Harin Lemishko, Kateryna Mohr, Sebastian Nelson, Anna Tennyson, Jonathan Shalashilin, Dmitrii Chemical Physics The process of dissociation for two hydrofluorocarbon molecules in low triplet states excited by electron impact in plasma is investigated by ab initio Molecular Dynamics (AIMD). The interest in dissociation of hydrofluorocarbons in plasma is motivated by their role in plasma etching in microelectronic technologies. Dissociation of triplet states is very fast, and the reaction products can be predicted. In this work, it was found that higher triplet states relax into the lowest triplet state within a few femtoseconds due to nonadiabatic dynamics, so that the simplest ab initio MD on the lowest triplet state seems to give a reasonable estimate of the reaction channels branching ratios. We provide evidence for the existence of simple rules for the dissociation of hydrofluorocarbon molecules in triplet states. For molecules with a double bond, the bonds adjacent to it dissociate faster than the other bonds. |
| title | Dissociation of hydrofluorocarbon molecules after electron impact in plasma |
| topic | Chemical Physics |
| url | https://arxiv.org/abs/2402.12473 |