Article (Scientific journals)
Nonadditivity of the Adsorption Energies of Linear Acenes on Au(111): Molecular Anisotropy and Many-Body Effects
Maass, Friedrich; Ajdari, Mohsen; Cheenicode Kabeer, Fairoja et al.
2019In Journal of Physical Chemistry Letters, 10, p. 1000-1004
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Abstract :
[en] Adsorption energies of chemisorbed molecules on inorganic solids usually scale linearly with molecular size and are well described by additive scaling laws. However, much less is known about scaling laws for physisorbed molecules. Our temperature-programmed desorption experiments demonstrate that the adsorption energy of acenes (benzene to pentacene) on the Au(111) surface in the limit of low coverage is highly nonadditive with respect to the molecular size. For pentacene, the deviation from an additive scaling of the adsorption energy amounts to as much as 0.7 eV. Our first-principles calculations explain the observed nonadditive behavior in terms of anisotropy of molecular polarization stemming from many-body electronic correlations. The observed nonadditivity of the adsorption energy has implications for surface-mediated intermolecular interactions and the ensuing on-surface self-assembly. Thus, future coverage-dependent studies should aim to gain insights into the impact of these complex interactions on the self-assembly of π-conjugated organic molecules on metal surfaces.
Disciplines :
Chemistry
Author, co-author :
Maass, Friedrich
Ajdari, Mohsen
Cheenicode Kabeer, Fairoja
Vogtland, Maximilian
Tkatchenko, Alexandre ;  University of Luxembourg > Faculty of Science, Technology and Communication (FSTC) > Physics and Materials Science Research Unit
Tegeder, Petra
External co-authors :
yes
Language :
English
Title :
Nonadditivity of the Adsorption Energies of Linear Acenes on Au(111): Molecular Anisotropy and Many-Body Effects
Publication date :
15 February 2019
Journal title :
Journal of Physical Chemistry Letters
ISSN :
1948-7185
Publisher :
American Chemical Society, Washington, United States - District of Columbia
Volume :
10
Pages :
1000-1004
Peer reviewed :
Peer Reviewed verified by ORBi
Focus Area :
Physics and Materials Science
Computational Sciences
Available on ORBilu :
since 31 October 2019

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