Journal
PHYSICAL REVIEW LETTERS
Volume 86, Issue 1, Pages 123-126Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.86.123
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The ability of the Si(001) surface to adsorb H-2 molecules dissociatively increases by orders of magnitude when appropriate surface dangling bonds are terminated by H atoms. Through molecular beam techniques the energy dependent sticking probability at different absorption sites on H-precovered and stepped surfaces is measured to obtain information about the barriers to adsorption, which decrease systematically with an increase in coadsorbed H atoms. With the help of density functional calculations for interdimer adsorption pathways, this effect is traced back to the electronic Structure of the different adsorption sites and its interplay with local lattice distortions.
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