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Issue 10, 2012
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Radical self-assembled monolayers on Au(111) formed by the adsorption of closed-shell molecules

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Abstract

Using density-functional theory band-structure calculations, we show how the exothermic adsorption of conjugated closed-shell organic semiconductor molecules on an Au(111) surface can turn them into radicals. For this to happen, we suggest the use of a thiocarbonyl docking group instead of the commonly applied thiols. The radicalisation of the adsorbed molecules resulting from the formation of the Au–S bond leads to reduced electron- and hole-injection barriers. The calculations predict two energetically close solutions for the adsorbed monolayer, one being non-magnetic and metallic and another being magnetic with reduced density of states at the Fermi energy.

Graphical abstract: Radical self-assembled monolayers on Au(111) formed by the adsorption of closed-shell molecules

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Article information


Submitted
07 Oct 2011
Accepted
20 Dec 2011
First published
12 Jan 2012

This article is Open Access

J. Mater. Chem., 2012,22, 4269-4272
Article type
Communication

Radical self-assembled monolayers on Au(111) formed by the adsorption of closed-shell molecules

F. Rissner, Z. Ma, O. T. Hofmann, C. Slugovc, Z. Shuai and E. Zojer, J. Mater. Chem., 2012, 22, 4269
DOI: 10.1039/C2JM15056E

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