| Summary: | 碩士 === 國立中山大學 === 物理學系研究所 === 90 === Abstract
We have performed ab initio molecular-dynamics (MD) calculations for the dependence of the sticking property of a C gas-phase atom ( ) on C(100) on the initial velocity. We have considered initial velocities of 0.0082, 0.0117 and 0.0185
. The largest velocity considered corresponds to a kinetic energy of 0.2142 eV, which is comparable with the chemisorption energy of an order of 1eV. For the three initial velocities
considered, can settle on C(100) easily.
The relatively quick settlement of even with a large initial velocity can be attributed to an efficient transfer of kinetic energy from to the H atom. We also find that the higher initial velocity, the deeper penetrates into the substrate, which renders to stay closer to the impact position.
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