The surface diffusion coefficients for hydrogen on Ru(001) were calculated using transition state theory. The calculations were based on an empirical potential surface constructed using experimental values for the adsorption energy and vibrational frequencies of hydrogen on Ru(001). The calculated activation barrier was 3.84 kcalmole and the diffusion pre-exponential was D0 = 2.2 × 10−3cm2s. These calculated results are in excellent agreement with recent experimental results for hydrogen surface diffusion on Ru(001) obtained using laser-induced thermal desorption (LITD) techniques.
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Mak et al. (1987) studied this question.
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