Jpn. J. Appl. Phys. 38 (1999) pp. 3809-3812  |Next Article|  |Table of Contents|
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Calculations of Scanning Tunneling Microscopic Images of Benzene on Pt(111) and Pd(111), and Thiophene on Pd(111)

Don Norimi Futaba and ShirleyChiang

Department of Physics, University of California, Davis, California 95616, U.S.A.

(Received March 8, 1999; accepted for publication March 18, 1999)

We use a computational method, based on extended Hückel molecular orbital theory, for calculating the scanning tunneling microscope (STM) images of benzene on Pt(111), benzene on Pd(111), and thiophene on Pd(111). For each case, we calculated images for both isolated and chemisorbed molecules. From binding energy calculations, the low energy geometries for the three binding sites were determined. The calculated images for benzene on Pt(111) agreed well with previously published experimental and theoretical results. We found many similarities between the calculated images of benzene on Pt(111) and on Pd(111). Calculated images of adsorbed thiophene showed marked similarities with the previously calculated images of furan and pyrrole.

DOI: 10.1143/JJAP.38.3809
KEYWORDS:STM, scanning tunneling microscope, microscopy, Hückel, palladium, Pd(111), platinum, Pt(111), benzene, thiophene

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