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Título

Molecular switches from benzene derivatives adsorbed on metal surfaces

AutorLiu, W.; Filimonov, Sergey N.; Carrasco Rodríguez, Javier; Tkatchenko, Alexandre
Palabras claveAtomic and molecular physics
Organic chemistry
Fecha de publicación25-oct-2013
EditorSpringer Nature
CitaciónNature Communications 4: 2569 (2013)
ResumenTransient precursor states are often experimentally observed for molecules adsorbing on surfaces. However, such precursor states are typically rather short-lived, quickly yielding to more stable adsorption configurations. Here we employ first-principles calculations to systematically explore the interaction mechanism for benzene derivatives on metal surfaces, enabling us to selectively tune the stability and the barrier between two metastable adsorption states. In particular, in the case of the tetrachloropyrazine molecule, two equally stable adsorption states are identified with a moderate and conceivably reversible barrier between them. We address the feasibility of experimentally detecting the predicted bistable behaviour and discuss its potential usefulness in a molecular switch.
Descripción© 2013 Macmillan Publishers Limited
Versión del editorhttps://doi.org/10.1038/ncomms3569
URIhttp://hdl.handle.net/10261/182827
DOI10.1038/ncomms3569
ISSN2041-1723
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