Article (Scientific journals)
Molecular switches from benzene derivatives adsorbed on metal surfaces
Liu, W.; Filimonov, S. N.; Carrasco, J. et al.
2013In Nature Communications, 4
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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.
Disciplines :
Physics
Identifiers :
eid=2-s2.0-84893387285
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
External co-authors :
yes
Language :
English
Title :
Molecular switches from benzene derivatives adsorbed on metal surfaces
Publication date :
2013
Journal title :
Nature Communications
ISSN :
2041-1723
Publisher :
Nature Publishing Group, London, United Kingdom
Volume :
4
Peer reviewed :
Peer Reviewed verified by ORBi
Funders :
VDW-CMAT, European Research Council
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