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Título

Assembly of ferrocene molecules on metal surfaces revisited

AutorOrmaza, Maider; Robles, Roberto ; Bocquet, M. L.; Lorente, Nicolás ; Limot, Laurent
Palabras claveDensity functional theory
Scanning tunneling microscopy
Cu(100)
Cu(111)
Self-assembly
Adsorption
Ferrocene
Fecha de publicación2015
EditorAmerican Chemical Society
CitaciónJournal of Physical Chemistry Letters 6(3): 395-400 (2015)
ResumenMetallocene (MCp2) wires have recently attracted considerable interest in relation to molecular spintronics due to predictions concerning their half-metallic nature. This exciting prospect is however hampered by the little and often-contradictory knowledge we have concerning the metallocene self-assembly and interaction with a metal. Here, we elucidate these aspects by focusing on the adsorption of ferrocene on Cu(111) and Cu(100). Combining low-temperature scanning tunneling microscopy and density functional theory calculations, we demonstrate that the two-dimensional molecular arrangement consists of vertical- and horizontal-lying molecules. The noncovalent T-shaped interactions between Cp rings of vertical and horizontal molecules are essential for the stability of the physisorbed molecular layer. These results provide a fresh insight into ferrocene adsorption on surfaces and may serve as an archetypal reference for future work with this important variety of organometallic molecules. (Figure Presented).
URIhttp://hdl.handle.net/10261/131599
DOI10.1021/jz5026118
Identificadoresdoi: 10.1021/jz5026118
e-issn: 1948-7185
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