Self-Metalation of Phthalocyanine Molecules with Silver Surface Atoms by Adsorption on Ag(110)

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• 作者：Lars Smykalla ; Pavel Shukrynau ; Dietrich R. T. Zahn ; Michael Hietschold
• 刊名：Journal of Physical Chemistry C
• 出版年：2015
• 出版时间：July 30, 2015
• 年：2015
• 卷：119
• 期：30
• 页码：17228-17234
• 全文大小：524K
• ISSN：1932-7455

文摘

We report that metal-free phthalocyanine (H₂Pc) molecules with a central cavity are able to incorporate Ag atoms from an Ag(110) surface thus creating silver phthalocyanine (AgPc). The reaction was investigated by means of scanning tunneling microscopy (STM) under ultrahigh vacuum, and the metalation of H₂Pc at the interface was confirmed with X-ray photoelectron spectroscopy. Three different kinds of molecules were found on the surface that are assigned to H₂Pc, the corresponding dehydrogenated molecules (Pc), and AgPc. The relative amounts of Pc and AgPc increase with increasing annealing temperature. We suggest that the reaction with Ag atoms from the steps of the surface occurs favorably only for already dehydrogenated molecules; thus, the metalation of H₂Pc is likely limited by the heat-induced dehydrogenation. Density functional theory simulations of the reaction path are presented to corroborate this hypothesis.