Makhov, DV;
Armstrong, G;
Chuang, HH;
Ambalampitiya, H;
Lemishko, K;
Mohr, S;
Nelson, A;
... Shalashilin, D; + view all
(2024)
Dissociation of Hydrofluorocarbon Molecules after Electron Impact in Plasma.
Journal of Physical Chemistry Letters
, 15
(12)
pp. 3404-3411.
10.1021/acs.jpclett.4c00348.
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Abstract
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 the 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, such 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 of the existence of simple rules for the dissociation of hydrofluorocarbon molecules in triplet states. For molecules with a double bond, the bonds adjacent to the double bond dissociate faster than the other bonds.
| Type: | Article |
|---|---|
| Title: | Dissociation of Hydrofluorocarbon Molecules after Electron Impact in Plasma |
| Location: | United States |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1021/acs.jpclett.4c00348 |
| Publisher version: | http://dx.doi.org/10.1021/acs.jpclett.4c00348 |
| Language: | English |
| Additional information: | This work is licensed under a Creative Commons Attribution 4.0 International License. The images or other third-party material in this article are included in the Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder to reproduce the material. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/ |
| Keywords: | Bond cleavage, Dissociation, Molecular dynamics, Molecules, Plasma |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Physics and Astronomy |
| URI: | https://discovery.ucl.ac.uk/id/eprint/10190116 |
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