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Open Accesshttps://doi.org/10.1039/d4re00096j
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Cite Journal: Reaction Chemistry & Engineering |  Publication Date: Jan 1, 2024 |
 License type: CC BY-NC 3.0 |
DFT and CI-NEB are used to investigate potential energy surfaces and determine rate constants of C2H2 deposition on graphene edges. Chemical lumping enables implementation of the proposed rate constants in pyrocarbon deposition kinetic models.
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