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By means of cluster models coupled with density functional theory, we have studied the hydroboration of the Ge(1 0 0)-2 × 1 surface with BH 3 . It was found that the Ge(1 0 0) surface exhibits rather different surface reactivity toward the dissociative adsorption of BH 3 compared to the C(1 0 0) and Si(1 0 0) surfaces. The strong interaction still exists between the as-formed BH 2 and H adspeices although the dissociative adsorption of BH 3 on the Ge(1 0 0) surface occurs readily, which is in distinct contrast to that on the C(1 0 0) and Si(1 0 0) surfaces. This can be understood by the electrophilic nature of the down Ge atom, which makes it unfavourable to form a Ge{single bond}H bond with the dissociating proton-like hydrogen. Alternatively, it can be attributed to the weak proton affinity of the Ge(1 0 0) surface. Nevertheless, the overall dissociative adsorption of BH 3 on group IV semiconductor surfaces is favourable both thermodynamically and kinetically, suggesting the interesting analogy and similar diversity chemistry of solid surface in the same group. © 2005 Elsevier B.V. All rights reserved.
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Applied Surface Science
ISSN: 0169-4332
Year: 2006
Issue: 16
Volume: 252
Page: 5855-5860
1 . 4 3 6
JCR@2006
6 . 3 0 0
JCR@2023
JCR Journal Grade:2
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