J. Rika Simon, Dmitrii Maksimov, Christian Lotze, Paul Wiechers, Juan Pablo Guerrero Felipe, Björn Kobin, Jutta Schwarz, Stefan Hecht, Katharina J. Franke, Mariana Rossi
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引用次数: 0
Abstract
Sulfur vacancies in on Au(111) have been shown to be negatively charged as reflected by a Kondo resonance. Here, we use scanning tunneling microscopy to show that these vacancies serve as anchoring sites for thiol-based molecules with two distinct reaction products, one of them showing a Kondo resonance. Based on comparisons with density-functional theory (DFT) calculations, including a random structure search and computation of energies and electronic properties at a hybrid exchange-correlation functional level, we conclude that both anchored molecules are charge neutral. We propose that one of them is an anchored intact molecule while the other one is the result of catalytically activated dehydrogenation to with subsequent anchoring. Our investigations highlight a perspective of functionalizing defects with thiol-terminated molecules that can be equipped with additional functional groups, such as charge donor or acceptor moieties, switching units, or magnetic centers.
期刊介绍:
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