Long-Range Surface-Assisted Molecule-Molecule Hybridization
Marina Castelli, Jack Hellerstedt, Cornelius Krull, Spiro Gicev, Lloyd CL Hollenberg, Muhammad Usman, Agustin Schiffrin
SMALL | WILEY-V C H VERLAG GMBH | Published : 2021
Metalated phthalocyanines (Pc's) are robust and versatile molecular complexes, whose properties can be tuned by changing their functional groups and central metal atom. The electronic structure of magnesium Pc (MgPc)-structurally and electronically similar to chlorophyll-adsorbed on the Ag(100) surface is investigated by low-temperature scanning tunneling microscopy and spectroscopy, non-contact atomic force microscopy, and density functional theory. Single, isolated MgPc's exhibit a flat, fourfold rotationally symmetric morphology, with doubly degenerate, partially populated (due to surface-to-molecule electron transfer) lowest unoccupied molecular orbitals (LUMOs). In contrast, MgPc's with..View full abstract
Awarded by Australian Research Council (ARC)
A.S. acknowledges support from the Australian Research Council (ARC) Future Fellowship scheme (FT150100426). M.C. acknowledges support from the Monash Centre of Atomically Thin Materials (MCATM), and the ARC Centre of Excellence in Future Low-Energy Electronics Technologies (FLEET). The computational resources for this work were provided by the National Computing Infrastructure (NCI) and Pawsey Supercomputing Center through National Computational Merit Allocation Scheme (NCMAS). S.G., L.H., and M.U. acknowledge useful discussions with Charles Hill (The University of Melbourne).