Centro NanoMat, Facultad de Química, Universidad de la República, Montevideo, Uruguay
CINQUIFIMA, Espacio Interdisciplinario, Universidad de la República, Montevideo, Uruguay
Vinicius Zoldan, André A. Pasa
Laboratório de Filmes Finos e Superfícies, Universidade Federal de Santa Catarina, Florianópolis, Brazil
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Electronic Structure of Single Molecule Diodes
Looking for single molecule electronic devices, we have investigated the charge transport properties of individual tetra-phenylporphyrin molecules on different substrates by ultrahigh-vacuum scanning tunneling microscopy and spectroscopy and by first-principles calculations. The tetra-phenylporphyrins with a Co atom (Co-TPP) or 2 hydrogens (H2-TPP) in the central macrocycle when deposited on Cu3Au(100) substrates showed a diode-like behavior with p and n type character, respectively. After removing the central hydrogens of H2-TPP molecule with the STM tip an ohmic behavior was measured. The rectifying effect was understood from the theoretical point of view by assuming for Co-TPP HOMO conduction and for H2-TPP LUMO conduction, both selectively elected by the hybridization of states between molecule and substrate surface.
 Vinícius Zoldan, Ricardo Faccio & André A. Pasa. “n and p type character of single molecule diodes“. Nature Scientific Reports (5) 8350, 1-8, 2015.
 Vinícius Zoldan, Chunlei Gao, Ricardo Faccio & André A. Pasa.“Coupling of Cobalt-Tetraphenylporphyrin Molecules to a Copper Nitride Layer“. Journal of Physical Chemistry C 117(31), 15984 - 15990, 2013
Ackwnoledgement: CSIC, PEDECIBA y ANII