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• W2077898064 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." @default.
• W2077898064 created "2016-06-24" @default.
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• W2077898064 date "2012-01-01" @default.
• W2077898064 modified "2023-10-16" @default.
• W2077898064 title "Radical self-assembled monolayers on Au(111) formed by the adsorption of closed-shell molecules" @default.
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• W2077898064 doi "https://doi.org/10.1039/c2jm15056e" @default.
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