Topological defects and anisotropic development during pre-graphitization
Aligned graphenic fragments of varying size, mimicking those found in carbons carbonized through a mesophase, are found to self-assemble towards structures of varying anisotropy when annealed using molecular dynamics simulations. These models enable us to probe the range of topological features pres...
| Main Authors: | , , , |
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| Format: | Journal Article |
| Published: |
2023
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| Online Access: | http://purl.org/au-research/grants/arc/FT140100191 http://hdl.handle.net/20.500.11937/96012 |
| _version_ | 1848766073010126848 |
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| author | Francas, Gabriel Martin, Jacob Suarez-Martinez, Irene Marks, Nigel |
| author_facet | Francas, Gabriel Martin, Jacob Suarez-Martinez, Irene Marks, Nigel |
| author_sort | Francas, Gabriel |
| building | Curtin Institutional Repository |
| collection | Online Access |
| description | Aligned graphenic fragments of varying size, mimicking those found in carbons carbonized through a mesophase, are found to self-assemble towards structures of varying anisotropy when annealed using molecular dynamics simulations. These models enable us to probe the range of topological features present in carbons of varying anisotropy where we find significant differences in the defects present. We conclude that the screw dislocation is the dominant annealable defect in graphitizable carbons, while a persistence of saddle-shaped defects may make some carbons less graphitizable. These findings contribute to the ongoing questions surrounding the factors which determine precursor graphitizability. |
| first_indexed | 2025-11-14T11:45:20Z |
| format | Journal Article |
| id | curtin-20.500.11937-96012 |
| institution | Curtin University Malaysia |
| institution_category | Local University |
| last_indexed | 2025-11-14T11:45:20Z |
| publishDate | 2023 |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | curtin-20.500.11937-960122024-11-07T00:35:56Z Topological defects and anisotropic development during pre-graphitization Francas, Gabriel Martin, Jacob Suarez-Martinez, Irene Marks, Nigel Aligned graphenic fragments of varying size, mimicking those found in carbons carbonized through a mesophase, are found to self-assemble towards structures of varying anisotropy when annealed using molecular dynamics simulations. These models enable us to probe the range of topological features present in carbons of varying anisotropy where we find significant differences in the defects present. We conclude that the screw dislocation is the dominant annealable defect in graphitizable carbons, while a persistence of saddle-shaped defects may make some carbons less graphitizable. These findings contribute to the ongoing questions surrounding the factors which determine precursor graphitizability. 2023 Journal Article http://hdl.handle.net/20.500.11937/96012 10.1016/j.carbon.2023.118251 http://purl.org/au-research/grants/arc/FT140100191 https://creativecommons.org/licenses/by/4.0/ fulltext |
| spellingShingle | Francas, Gabriel Martin, Jacob Suarez-Martinez, Irene Marks, Nigel Topological defects and anisotropic development during pre-graphitization |
| title | Topological defects and anisotropic development during pre-graphitization |
| title_full | Topological defects and anisotropic development during pre-graphitization |
| title_fullStr | Topological defects and anisotropic development during pre-graphitization |
| title_full_unstemmed | Topological defects and anisotropic development during pre-graphitization |
| title_short | Topological defects and anisotropic development during pre-graphitization |
| title_sort | topological defects and anisotropic development during pre-graphitization |
| url | http://purl.org/au-research/grants/arc/FT140100191 http://hdl.handle.net/20.500.11937/96012 |