Article (Scientific journals)
Binding energies of benzene on coinage metal surfaces: Equal stability on different metals
Maaß, Friedrich; Jiang, Yingda; Liu, Wei et al.
2018In Journal of Chemical Physics, 148, p. 7
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Abstract :
[en] Interfaces between organic molecules and inorganic solids adapt a prominent role in fundamental science, catalysis, molecular sensors, and molecular electronics. The molecular adsorption geometry, which is dictated by the strength of lateral and vertical interactions, determines the electronic structure of the molecule/substrate system. In this study, we investigate the binding properties of benzene on the noble metal surfaces Au(111), Ag(111), and Cu(111), respectively, using temperature-programmed desorption and first-principles calculations that account for non-locality of both electronic exchange and correlation effects. In the monolayer regime, we observed for all three systems a decrease of the binding energy with increasing coverage due to repulsive adsorbate/adsorbate interactions. Although the electronic properties of the noble metal surfaces are rather different, the binding strength of benzene on these surfaces is equal within the experimental error (accuracy of 0.05 eV), in excellent agreement with our calculations. This points toward the existence of a universal trend for the binding energy of aromatic molecules resulting from a subtle balance between Pauli repulsion and many-body van der Waals attraction.
Disciplines :
Physics
Author, co-author :
Maaß, Friedrich ;  Physikalisch-Chemisches Institut, Ruprecht-Karls-Universit¨at Heidelberg, Im Neuenheimer Feld 253, 69120 Heidelberg, Germany
Jiang, Yingda 
Liu, Wei
Tkatchenko, Alexandre ;  University of Luxembourg > Faculty of Science, Technology and Communication (FSTC) > Physics and Materials Science Research Unit
Tegeder, Petra
 These authors have contributed equally to this work.
External co-authors :
yes
Language :
English
Title :
Binding energies of benzene on coinage metal surfaces: Equal stability on different metals
Publication date :
01 June 2018
Journal title :
Journal of Chemical Physics
ISSN :
1089-7690
Publisher :
American Institute of Physics, New York, United States - New York
Volume :
148
Pages :
7
Peer reviewed :
Peer Reviewed verified by ORBi
Focus Area :
Physics and Materials Science
Available on ORBilu :
since 01 January 2019

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