ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
The mechanism of H2 desorption from the Si(100)2×1 surface is discussed. Based on density functional calculations, it is concluded that the energy of the Si–Si surface dimer bond is about 37 kcal/mol, which is significantly larger than was assumed in a recent study [M. C. Flowers, N. H. B. Jonathan, Y. Liu, and A. Morris, J. Chem. Phys. 99, 738 (1993)] employing the lattice gas model. It is proposed that surface defects, in particular isolated surface Si atoms, play an important role in the desorption mechanism.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.467642
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