Jan 30, 2008

Reducing the Molecule-Substrate Coupling in C60-Based Nanostructures by Molecular Interactions

Nicolás Lorente, member of the Theory and Simulation group at CIN2 (CSIC-ICN), together with other researchers, published the paper 'Reducing the Molecule-Substrate Coupling in C₆₀-Based Nanostructures by Molecular Interactions' on Phys. Rev. Lett. 100, 036807 (2008).

Codeposition of C₆₀ and the three-dimensional molecular hydrocarbon 1,3,5,7-tetraphenyladamantane (TPA) on Au(111) leads to the spontaneous formation of molecular nanostructures in which each fullerene is locked into a specific orientation by three surrounding TPA. Scanning tunneling spectroscopy shows that the electronic coupling of C₆₀ with the surface is significantly reduced in these nanostructures, enhancing the free-molecule properties. As evidenced by density functional theory simulations, the nanostructures are stabilized by 18 local electrostatic forces between C₆₀ and TPA, resulting in a lifting of the C₆₀ cage from the surface.

+ DOI: 10.1103/PhysRevLett.100.036807