Reference : Molecular switches from benzene derivatives adsorbed on metal surfaces
Scientific journals : Article
Physical, chemical, mathematical & earth Sciences : Physics
http://hdl.handle.net/10993/25670
Molecular switches from benzene derivatives adsorbed on metal surfaces
English
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 mailto [Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin, Germany]
2013
Nature Communications
4
Yes (verified by ORBilu)
International
2041-1723
[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.
VDW-CMAT, European Research Council
http://hdl.handle.net/10993/25670
10.1038/ncomms3569

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