Theoretical studies of the structure of C2H2 adsorbed on Si(0 0 1)

The carbon 1s near-edge X-ray absorption fine structure (NEXAFS) spectra of the acetylene (C2H2) at 1 ML coverage adsorbed on the Si(0 0 1)-(2 × 1) surface at room temperature have been investigated by multiple-scattering cluster (MSC). The MSC result shows that the correct adsorption model of C2H2/Si(0 0 1)-(2 × 1) is unique, i.e. the dimerized structure with two domains, (2 × 1) and (1 × 2).