Modelling functional materials : a study in graphene
A Molecular Dynamics (MD) simulation was done to examine the effects of thermal transformation of coronene fragments to an epitaxial sheet of graphene using a copper substrate as a catalyst. Coronene fragments were placed on a surface of copper melt and heated at 900 and 1100K at a constant temperat...
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| Format: | Final Year Project |
| Language: | English |
| Published: |
2016
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| Subjects: | |
| Online Access: | http://hdl.handle.net/10356/66355 |
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| Institution: | Nanyang Technological University |
| Language: | English |
| Summary: | A Molecular Dynamics (MD) simulation was done to examine the effects of thermal transformation of coronene fragments to an epitaxial sheet of graphene using a copper substrate as a catalyst. Coronene fragments were placed on a surface of copper melt and heated at 900 and 1100K at a constant temperature and observe if there are any effects of bridging-metal structures formed. It was observed that the formation of graphene from coronene is dependent on the time that the fragments are heated as defect formation was prevalent after a while. The bridging-metal structure was unable to be observed in this instance of the experiment. Impact of the findings on future research has also been included at the conclusion of this report. |
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