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- W1988970689 abstract "We performed quantum dynamics calculations using available potential energy surfaces for the dissociative adsorption of H 2 incident on a Si(001)2×2 surface. In this study, we show that the probability of adsorption for H 2 and the effect of vibrationally assisted sticking (VAS) vary at different sites along the Si-dimer bond. Based on the sticking probability plots for H 2 as functions of its initial translational energy, we show that the H 2 -silicon surface interactions are all activated, with the lowest potential barrier being found in the case of H 2 coming down the Si surface with its center of mass roughly above the down Si-dimer atom. On the other hand, the VAS effect is strongest when H 2 , while coming down the silicon surface along the surface normal, approaches the point farthest from the up Si-dimer atom along the Si-dimer bond. Here, the potential barrier is closest to the curved region along the reaction path in the corresponding potential energy surface for this system." @default.
- W1988970689 created "2016-06-24" @default.
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- W1988970689 date "2005-02-01" @default.
- W1988970689 modified "2023-09-26" @default.
- W1988970689 title "Site-Dependent Vibrationally Assisted Sticking Effect on H<sub>2</sub>–Si(001)2×2 Surface Interactions" @default.
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- W1988970689 doi "https://doi.org/10.1143/jjap.44.797" @default.
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