Empty-state scanning tunneling microscopy image of C2H2 on Si(0 0 1)--new evidence for paired end-bridge di-σ configuration |
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Authors: | Wondong Kim Hanchul KimGeunseop Lee Young-Kyu HongSekyung Lee Ja-Yong Koo |
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Institution: | Korea Research Institute of Standards and Science, Chemical Metrology, P.O. Box 102, Yuseong, Daejon 305-600, Republic of Korea |
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Abstract: | New evidence of the paired end-bridge configuration in the room-temperature adsorption geometries of C2H2 molecules on Si(0 0 1) is presented by scanning tunneling microscopy (STM) and ab initio pseudopotential calculations. The distinct four-leaved feature occupying two adjacent Si dimer sites in the experimental empty-state STM images are well reproduced by simulations of the paired end-bridge adsorption configuration. Calculated energetics suggests that the Si(0 0 1) surface is covered by paired end-bridge structures at the saturation coverage of 1 ML, in agreement with the existing experiments. |
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Keywords: | Scanning tunneling microscopy Ab initio quantum chemical methods and calculations Chemisorption Alkynes Silicon |
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