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For more than 10 years there have been discussions regarding the charge transfer mechanism from Ferrocene to metals when arranged in Self-Assembled Monolayers Fc-SAMs. In this theoretical study we present a family of models that show evidence of electron tunneling from Fc directly to Au(111), with no relevant contribution from the linker chain.
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Filipe Camargo Dalmatti Alves Lima Lima , Arrigo Calzolari , Marilia Junqueira Caldas , Rodrigo M Iost , Frank Nelson Crespilho , and Helena Maria Petrilli J. Phys. Chem. C, Just Accepted Manuscript D
DOI: 10.1021/jp506425c
