Multi-orbital charge transfer at highly oriented organic/metal interfaces

Organic-based device performances have been rapidly improving in the last years, making them suitable for large-scale industrial applications, involving photo-voltaic cells, light emission systems and building of larger flexible electronics. In parallel, basic research has intensively been focused on the chemical and physical properties of semiconducting π-conjugated organic molecules, as they appear to be promising for organic-based device construction. In particular, in controlling the charge injection on such devices, a predominant role is played by the molecule-substrate interaction. Charge transfer at the molecule-metal interface strongly affects the overall physical and magnetic properties of the system, and ultimately, the device performance.
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Image: (a) STM image including two Ni-TPP domains, labeled with A and B, respectively. STM image parameters: Vb = −1.5 V, It = 0.2 nA, image size 15 × 20 nm2, measured at 4.3 K. (b) . Proposed adsorption model for Ni-TPP/Cu(100), side view. (c) Valence band photoemission spectra of clean Cu(100) and Ni-TPP/Cu(100) acquired at 26 eV photon energy. (d) PDOS onto molecular orbitals for the Ni-TPP/Cu(100) system. The energy position of the corresponding gas-phase molecular orbitals, aligned with respect to the vacuum level, is indicated with colored bars on the top axis. (e) Comparison between μ-ARPES measured patterns (left) and the correspondent calculated |FT|2 of the molecular orbitals (right).