Brook, R., Bramley, O., Makhov, D. et al. (7 more authors) (2025) Rules of triplet state electron impact neutral dissociation in plasma from molecular dynamics simulations and an electrophore model. Journal of Vacuum Science & Technology A, 43 (4). 043003. ISSN 0734-2101
Abstract
Electron impact driven neutral dissociation of molecules that is important in low temperature plasma is investigated. Despite its importance for plasma technologies in microelectronics manufacturing, this process has received almost no attention from the computational chemistry community, which for decades has been focused on photodissociation. Simulations are performed for the dissociation of several fluorinate-organic molecules in their lowest triplet state, populated via electron impact excitation. Their dissociation in plasmas has recently been studied experimentally and their dissociation pathways have been shown to differ from those of the singlet ground state. Rules that determine the dissociation pathways in fluorinate-organic molecules are proposed and rationalized via analysis of an ensemble of trajectories, highlighting the common dissociation pathways. These rules can help to find new molecules for use in future plasma technologies, which produce a desired chemical composition of plasma, enhancing selectivity, etch rates, and environmental benefits.
Metadata
Item Type: | Article |
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Authors/Creators: |
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Copyright, Publisher and Additional Information: | © 2025 Author(s). This is an open access article under the terms of the Creative Commons Attribution License (CC-BY 4.0), which permits unrestricted use, distribution and reproduction in any medium, provided the original work is properly cited. |
Dates: |
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Institution: | The University of Leeds |
Academic Units: | The University of Leeds > Faculty of Engineering & Physical Sciences (Leeds) > School of Chemistry (Leeds) |
Depositing User: | Symplectic Publications |
Date Deposited: | 06 May 2025 12:47 |
Last Modified: | 12 Jun 2025 13:37 |
Status: | Published |
Publisher: | American Institute of Physics |
Identification Number: | 10.1116/6.0004454 |
Related URLs: | |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:226219 |