Defining graphenic crystallites in disordered carbon: Moving beyond the platelet model
We develop a picture of graphenic crystallites within disordered carbons that goes beyond the traditional model of graphitic platelets at random orientations. Using large atomistic structures containing one million atoms, we redefine the meaning of the quantity La extracted from X-ray diffraction (X...
| Main Authors: | , , , , , |
|---|---|
| Format: | Journal Article |
| Published: |
2023
|
| Online Access: | http://purl.org/au-research/grants/arc/FT140100191 http://hdl.handle.net/20.500.11937/96011 |
| _version_ | 1848766072715476992 |
|---|---|
| author | Putman, Kate J. Rowles, Matthew Marks, Nigel de Tomas, C. Martin, Jacob Suarez-Martinez, Irene |
| author_facet | Putman, Kate J. Rowles, Matthew Marks, Nigel de Tomas, C. Martin, Jacob Suarez-Martinez, Irene |
| author_sort | Putman, Kate J. |
| building | Curtin Institutional Repository |
| collection | Online Access |
| description | We develop a picture of graphenic crystallites within disordered carbons that goes beyond the traditional model of graphitic platelets at random orientations. Using large atomistic structures containing one million atoms, we redefine the meaning of the quantity La extracted from X-ray diffraction (XRD) patterns. Two complimentary approaches are used to measure the size of graphenic crystallites, which are defined as regions of regularly arranged hexagons. Firstly, we calculate the X-ray diffraction pattern directly from the atomistic coordinates of the structures and analyse them following a typical experimental process. Second, the graphenic crystallites are identified from a direct geometrical approach. By mapping the structure directly, we replace the idealised picture of the crystallite with a more realistic representation of the material and provide a well-defined interpretation for La measurements of disordered carbon. A key insight is that the size distribution is skewed heavily towards small fragments, with more than 75% of crystallites smaller than half of La. |
| first_indexed | 2025-11-14T11:45:20Z |
| format | Journal Article |
| id | curtin-20.500.11937-96011 |
| 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-20.500.11937-960112024-10-21T02:32:33Z Defining graphenic crystallites in disordered carbon: Moving beyond the platelet model Putman, Kate J. Rowles, Matthew Marks, Nigel de Tomas, C. Martin, Jacob Suarez-Martinez, Irene We develop a picture of graphenic crystallites within disordered carbons that goes beyond the traditional model of graphitic platelets at random orientations. Using large atomistic structures containing one million atoms, we redefine the meaning of the quantity La extracted from X-ray diffraction (XRD) patterns. Two complimentary approaches are used to measure the size of graphenic crystallites, which are defined as regions of regularly arranged hexagons. Firstly, we calculate the X-ray diffraction pattern directly from the atomistic coordinates of the structures and analyse them following a typical experimental process. Second, the graphenic crystallites are identified from a direct geometrical approach. By mapping the structure directly, we replace the idealised picture of the crystallite with a more realistic representation of the material and provide a well-defined interpretation for La measurements of disordered carbon. A key insight is that the size distribution is skewed heavily towards small fragments, with more than 75% of crystallites smaller than half of La. 2023 Journal Article http://hdl.handle.net/20.500.11937/96011 10.1016/j.carbon.2023.03.040 http://purl.org/au-research/grants/arc/FT140100191 http://creativecommons.org/licenses/by/4.0/ fulltext |
| spellingShingle | Putman, Kate J. Rowles, Matthew Marks, Nigel de Tomas, C. Martin, Jacob Suarez-Martinez, Irene Defining graphenic crystallites in disordered carbon: Moving beyond the platelet model |
| title | Defining graphenic crystallites in disordered carbon: Moving beyond the platelet model |
| title_full | Defining graphenic crystallites in disordered carbon: Moving beyond the platelet model |
| title_fullStr | Defining graphenic crystallites in disordered carbon: Moving beyond the platelet model |
| title_full_unstemmed | Defining graphenic crystallites in disordered carbon: Moving beyond the platelet model |
| title_short | Defining graphenic crystallites in disordered carbon: Moving beyond the platelet model |
| title_sort | defining graphenic crystallites in disordered carbon: moving beyond the platelet model |
| url | http://purl.org/au-research/grants/arc/FT140100191 http://hdl.handle.net/20.500.11937/96011 |