Determining structural and chemical heterogeneities of surface species at the single-bond limit

The structure determination of surface species has long been a challenge because of their rich chemical heterogeneities. Modern tip-based microscopic techniques can resolve heterogeneities from their distinct electronic, geometric, and vibrational properties at the single-molecule level but with limited interpretation from each. Here, we combined scanning tunneling microscopy (STM), noncontact atomic force microscopy (AFM), and tip-enhanced Raman scattering (TERS) to characterize an assumed inactive system, pentacene on the Ag(110) surface. This enabled us to unambiguously correlate the structural and chemical heterogeneities of three pentacene-derivative species through specific carbon-hydrogen bond breaking. The joint STM-AFM-TERS strategy provides a comprehensive solution for determining chemical structures that are widely present in surface catalysis, on-surface synthesis, and twodimensional materials.

Automated summary

The study utilized STM, AFM, and TERS techniques to characterize pentacene on the Ag(110) surface, successfully correlating the structural and chemical heterogeneities of three pentacene-derivative species and providing a comprehensive solution for determining chemical structures.