We use the first-principles molecular-dynamics¡@simulation method (MD), which is based on the density functional theory (DFT) with local-density approximation (LDA), to calculate the sticking property of a carbon atom on hydrogen covered C(100) surface. We focused on trajectories and kinetic energy transfer of the gas-phase C atom for four incident angles of =0, £k/8, £k/6 and £k/4. We find that the calculated trajectories and the kinetic energy transfer of the gas-phase atom, Cn, overall are not very sensitive to the change of the incident angle. The insensitivity of the sticking property on the incident angle may be due to a large chemisorption energy, which bends the trajectory of Cn toward the surface, so that Cn is confined to move within a small range.
| Identifer | oai:union.ndltd.org:NSYSU/oai:NSYSU:etd-0712102-064704 |
| Date | 12 July 2002 |
| Creators | Shui, Jin-Hua |
| Contributors | Shiow-Fon Tsay, Min-Hsiung Tsai, Chin-Fu Liu |
| Publisher | NSYSU |
| Source Sets | NSYSU Electronic Thesis and Dissertation Archive |
| Language | English |
| Detected Language | English |
| Type | text |
| Format | application/pdf |
| Source | http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0712102-064704 |
| Rights | unrestricted, Copyright information available at source archive |
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