Bonding Structure of Phenylacetylene on Hydrogen-Terminated Si(111) and Si(100): Surface Photoelectron Spectroscopy Analysis and Ab-Initio Calculation

POSTER

Abstract

Organic monolayers formed by reaction on hydrogen-terminated silicon have potential in future device applications. Although previous studies showed that monolayers may be fabricated via a surface hydrosilylation reaction scheme, controversy exists regarding the bonding structure at the interface. In the present study, we shed light on the interfaces between phenylacetylene (PA) and two different H-terminated silicon surfaces, H:Si(111) and H:Si(100). We utilize X-ray photoelectron spectroscopy, ultraviolet photoelectron spectroscopy, and near-edge X-ray absorption fine structure spectroscopy for the purpose. Features arising from the valence/unoccupied bands in photoelectron spectra suggest that a large number of the PA molecules retain their $\pi$-electronic character for both of the systems. We further discuss these experimental findings and their interpretation based on ab-initio quantum chemical calculations.

Authors

  • Masakazu Kondo

    Chisso Corporation and Materials Research Laboratory, UCSB

  • Edward Kramer

    MC-CAM and the Departments of Materials and Chemical Engineering, University of California, Santa Barbara, University of California Santa Barbara, UCSB, University of California, Santa Barbara, Department of Materials and Department of Chemical Engineering, University of California Santa Barbara, Materials Research Laboratory UCSB, Materials Department UCSB, Materials Research Laboratory and Materials Department, UCSB, UC Santa Barbara, Material Research Lab, UC Santa Barbara