Studies of carbon cluster formation mechanism : graphene and transition adatoms
The purpose of this project was to investigate the interaction of transition metal adatoms and their effect on graphene via computer simulation. The study is based on the favoured position of the transition metal adatom on the graphene carbon network, looking at parameters such as binding energy, ov...
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| Format: | Final Year Project |
| Language: | English |
| Published: |
2012
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| Online Access: | http://hdl.handle.net/10356/49644 |
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| Institution: | Nanyang Technological University |
| Language: | English |
| Summary: | The purpose of this project was to investigate the interaction of transition metal adatoms and their effect on graphene via computer simulation. The study is based on the favoured position of the transition metal adatom on the graphene carbon network, looking at parameters such as binding energy, overall energy of the system and the distance of the adatom to the graphene. 13 transition metals were selected for the study, namely: Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Pd, Pt, Cu, Au, Zn.
It is determined that the electron configuration of the adatoms play an instrumental
role in the various element’s preferred site of adsorption. This study is done due to
increasing intereust in graphene and carbon nanotubes’ prominence in electronic
devices, their application and transportation of carriers. The results of the study
may serve to assist in the future experiments and theoretical research of graphene,
adsorption of adatoms and the impact of the preferred locations of the adatoms. |
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