AVS 49th International Symposium
    Surface Science Tuesday Sessions
       Session SS-TuP

Paper SS-TuP9
Experimental and Computational Studies of the Adsorption of Allyl Alcohol on the Si(100) Surface

Tuesday, November 5, 2002, 5:30 pm, Room Exhibit Hall B2

Session: Surface Science Poster Session
Presenter: L. Zhang, University of Nevada
Authors: L. Zhang, University of Nevada
A.J. Carman, University of Nevada
S.M. Casey, University of Nevada
Correspondent: Click to Email
In order to determine which mechanism, oxygen-addition or cycloaddition, plays a dominant role in governing the adsorption of organic molecules on silicon surfaces, the adsorption of a bi-functional molecule, allyl alcohol, on the Si(100)-(2x1) surface was investigated experimentally using Auger electron spectroscopy (AES), thermal desorption spectroscopy (TDS), and low-energy electron diffraction. The AES studies show that the surface adsorption of allyl alcohol is similar to the adsorption of the mono-functional molecule n-propanol, and is different from the adsorption of propene, based on final coverage comparisons. TDS results show that both allyl alcohol and n-propanol have no desorbing parent molecular species, while propene desorbs molecularly from this surface. Both allyl alcohol and propanol display desorption products consistent with the loss of water during decomposition. Computational studies were also performed using density functional theory and cluster models of the surface, in order to compare with the results from the experimental studies. Both the computational and experimental studies indicate that the oxygen-addition mechanism is most likely the favored path over [2+2] cycloaddition-type reactions with the Si(100) surface.