High-resolution scanning tunneling microscopy imaging of Si(1 1 1)-7 × 7 structure and intrinsic molecular states.

We review our achievements in exploring the high resolution imaging of scanning tunneling microscopy (STM) on the surface and adsorbates in a ultra-high vacuum system, by modifying the STM tip or introducing a decoupled layer onto the substrate. With an ultra-sharp tip, the highest resolution of Si(1 1 1)-7 × 7 reconstruction can be achieved, in which all the rest atoms and adatoms are observed simultaneously with high contrast. Further functionalization of STM tips can realize selective imaging of inherent molecular states. The electronic states of perylene and metal-phthalocyanine molecules are resolved with special decorated tips on metal substrates at low temperature. Moreover, we present two kinds of buffer layer: an organic molecular layer and epitaxially grown graphene to decouple the molecular electronic structure from the influence of the underlying metallic substrate and allow the direct imaging of the intrinsic orbitals of the adsorbed molecules. Theoretical calculations and STM simulations, based on first-principle density function theory, are performed in order to understand and verify the mechanism of high-resolution images. We propose that our results provide impactful routes to pursue the goal of higher resolution, more detailed information and extensive properties for future STM applications.