| The animation at the top of the page (hit Reload) is a trajectory for methane treated as a rigid rotor scattering from Ir(111). The molecule initially comes down to the surface at the right edge of the graph. Plotted are the positions of the central carbon atom and one hydrogen atom. The molecule bounces on the surface many times changing its rotation almost constantly, before returning to the gas phase.
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| Log plot of decay of adsorbed Methon for different surface temperatures. After an initial decay of hot adsorbates, the decay curves lock on to exponentials. The y-axis intercept is the initial trapping probability, which is seen to be higher at higher surfacer temperature! In this calculation, the methane is treated as a structureless, essentially rare gas atom of mass 16, hence the name 'Methon'.
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 G. O. Sitz, C. B. Mullins "Molecular Dynamics Simulations of the Influence of Surface Temperature on the Trapping of Methane on Iridium Single-Crystalline Surfaces", J. Phys. Chem. B, 1106 (2002) pp 8349-8353. |
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C. T. Reeves, J. D. Stiehl, C. B. Mullins, and GOS, Molecular dynamics simulations of the trapping of ethane on Si(100)-(2x1): The effect of rotational energy and surface temperature, J. Vac. Sci. Tech. 19 (2001) pp 1543-1548. |
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C. T. Reeves, B. A. Ferguson, C. B. Mullins, GOS, B. A. Helmer, and D. B. Graves, Trapping dynamics of ethane on Si(100)-(2x1): Molecular beam experiments and molecular dynamics simulations, J. Chem. Phys. 111 (1999) pp 7567-7575. |
Methon-iridium
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