Molecular switches from benzene derivatives adsorbed on metal surfaces

Liu, W.; Filimonov, S. N.; Carrasco, J.; Tkatchenko, Alexandre

doi:10.1038/ncomms3569

Reference : Molecular switches from benzene derivatives adsorbed on metal surfaces


	Document type :	Scientific journals : Article
	Discipline(s) :	Physical, chemical, mathematical & earth Sciences : Physics
	To cite this reference:	http://hdl.handle.net/10993/25670

Title :	Molecular switches from benzene derivatives adsorbed on metal surfaces
Language :	English
Author, co-author :	Liu, W. [Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin, Germany]
	Filimonov, S. N. [Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin, Germany, Department of Physics, Tomsk State University, 634050 Tomsk, Russian Federation]
	Carrasco, J. [Instituto de Catálisis Y Petroleoquímica, CSIC, Marie Curie 2, E-28049 Madrid, Spain, CIC Energigune, Albert Einstein 48, 01510 Miñano (Álava), Spain]
	Tkatchenko, Alexandre [Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin, Germany]
Publication date :	2013
Journal title :	Nature Communications
Volume :	4
Peer reviewed :	Yes (verified by ORBi^lu)
Audience :	International
ISSN :	2041-1723
Abstract :	[en] Transient 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. © 2013 Macmillan Publishers Limited. All rights reserved.
Funders :	VDW-CMAT, European Research Council
Permalink :	http://hdl.handle.net/10993/25670
DOI :	10.1038/ncomms3569

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