Abstract
The chemical products of moleuclar ethylene-cluster beam deposition on diamond substrates were investigated at room temperature using molecular dynamic simulations. Hydrogen-terminated diamond surfaces of varying sizes served as substrates for the experiments. The results of two approaches based on an empirical reactive empirical bond-order hydrocarbon potential and an order N nonorthogonal tight-binding method were compared. The similarities, differences, limitations and advantages of the two approaches were analyzed.
Original language | English (US) |
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Pages (from-to) | 6738-6744 |
Number of pages | 7 |
Journal | Journal of Chemical Physics |
Volume | 116 |
Issue number | 15 |
DOIs | |
State | Published - Apr 15 2002 |
All Science Journal Classification (ASJC) codes
- General Physics and Astronomy
- Physical and Theoretical Chemistry