Arifin, Rizal (2011) Growth of Layered Graphene and the Thermal Stability of Multilayered Graphene on Silicon Carbide Substrate by Molecular Dynamics Simulation. Magister thesis, Universitas Brawijaya.
Abstract
Simulasi dinamika molecular dan metode simulated annealing digunakan untuk mempelajari penumbuhan grapheme dan stabilitas termal lapisan grapheme nanoribbons pada substrat 6H-iC(0001). Dengan tujuan untuk memahami mekanisme yang menyebabkan keadaan-keadaan ini, kita menguji dua potensial empiris, yaitu potensial Tersoff [Phys. Rev. B 39, 5566 (1989)] yang secara luas digunakan dan versi lain yang lebih baik yang dipublikasikan beberapa tahun kemudian oleh Erhart dan Albe [Phys. Rev. B 71, 035211-1 (2005)]. Kita menemukan bahwa potensial Tersoff yang dimodifikasi oleh Erhart dan Albe secara umum lebih tepat untuk menumbuhkan grapheme pada substrat 6H-SiC yang mana temperature annealing yang didapatkan dekat dengan hasil pengamatan eksperimen. Kita menguji penumbuhan graphene kita dengan melihat rata-rata jarak ikatan, pair correlation function, dan energi ikat yang dapat diterima serta membandingkan dengan hasil eksperimen. Temperature annealing yang kita dapatkan pada 1325 yang mana stuktur grafitik mulai muncul adalah dekat dengan hasil pengamatan eksperimen. Pada kesetabilan thermal lapisan graphene, karakteristik pada morfologi permukaan dari lapisan graphene yang terletak tepat di atas substrat konsisten dengan simulasi yang lain. Yang lebih penting lagi, kita telah menentukan threshold temperature annealing pada sekitar 2000 K yang mana struktur lapisan karbon stabil dan menunjukan gejala terlepas dari substrat pada temperature diatasnya.
English Abstract
The molecular dynamics simulation and simulated annealing method were applied to study the growth process of graphene and the thermal stability of layered graphene nanoribbons on 6H-SiC(0001) substrate. With an intention to understand the mechanisms that govern these panoramas, we tested two empirical potentials, i.e. the widely used Tersoff potential [Phys. Rev. B 39 , 5566 (1989)] and its more refined version published years later by Erhart and Albe [Phys. Rev. B 71 , 035211-1 (2005)]. We found that the modified Tersoff potential communicated by Erhart and Albe is generally more banausic for growing layered graphene on 6H-SiC substrate for the annealing temperature at which the graphene structure comes into view is very close to that observed in epitaxially grown graphene experiments. We evaluate our grown layered graphene by checking the reasonableness of the average carbon-carbon bond-length, pair correlation function, binding energy and also comparing with the experimentally grown epitaxial graphene the distances among the overlaid layers of graphene and substrate surface. The annealing temperature we obtained at 1325 K at which the graphitic structure just comes into view is reasonably close to the experimentally observed pit formation. On the thermal stability of layered graphene, the characteristics of the surface morphology of an infinite graphene sheet that we positioned near SiC substrate are consistent with other simulation works. Most importantly we obtained a threshold annealing temperature at around 2000 K below which the structural behavior of the carbon buffer layer is thermally stable and above which one sees the graphitic structures show tendency to slant up from the substrate.
| Item Type: | Thesis (Magister) |
|---|---|
| Identification Number: | TES/530.427 5/ARI/g/041105288 |
| Subjects: | 500 Natural sciences and mathematics > 530 Physics > 530.4 States of matter |
| Divisions: | S2/S3 > Magister Fisika, Fakultas MIPA |
| Depositing User: | Endro Setyobudi |
| Date Deposited: | 08 Feb 2012 15:14 |
| Last Modified: | 08 Feb 2012 15:14 |
| URI: | http://repository.ub.ac.id/id/eprint/157498 |
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