Journal of Physical Chemistry B, Vol.104, No.6, 1285-1291, 2000
Structural properties of self-organized organo-silicon macromolecular films investigated by scanning tunneling microscopy and X-ray diffraction
Scanning tunneling microscopy (STM) and scanning tunneling spectroscopy (STS) have been applied to investigate thin films of a model silicon-containing macromolecule, silicon phthalocyanine dichloride (SiPcCl2), deposited from solution on to the H-passivated Si(111) surface. In a high coverage film, clusters of about 5.5 nm x 4.5 nm in size are observed. These clusters are believed to partially stack on each other, suggesting a tilted growth mechanism of the layers on the surface. In a low coverage film, well-ordered monolayers are found, with a close structural similarity to the bulk crystal structure of SiPcCl2. In this work, the bulk crystal structure of SiPcCl2 was determined directly from powder X-ray diffraction data using the Monte Carlo method. The results of STM manipulation and the observation of well-ordered SiPcCl2 layers on the Si(111) surface indicate a weaker interaction between the SiPcCl2 molecules and the substrate than between the SiPcCl2 molecules. STS measurements show rectifying behavior which is attributed to the H-passivated silicon surface.
Keywords:CRYSTAL-STRUCTURE DETERMINATION;MONTE-CARLO METHOD;COPPER-PHTHALOCYANINE;GENETIC ALGORITHM;THIN-FILMS;MOLECULES;SURFACES;SI(111);STM;GRAPHITE