Abstract
A recent spectroscopic study showed that alkoxy monolayers grafted on a (111) silicon surface thermally decompose in the 200–400°C range by fragmentation of the alkyl chains [Surf. Sci. 601 (2007) 3961]. Here this behavior is reproduced by a numerical simulation, assuming that the elementary fragmentation steps have different probabilities, depending on the length of the fragments formed. The variation of the CH2/CH3 ratio, as determined experimentally by infrared spectroscopy, is reproduced with a set of fragmentation probabilities consistent with the enthalpy variation associated with each corresponding step.
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