Unveiling the anisotropic behavior of ultrafast electron transfer at the metal/organic interface
Entity
UAM. Departamento de QuímicaPublisher
ElsevierDate
2021-07-15Citation
10.1016/j.apsusc.2021.149311
Applied Surface Science 554 (2021): 149311
ISSN
0169-4332 (print)DOI
10.1016/j.apsusc.2021.149311Funded by
This work was partially supported by the MICINN - Spanish Ministry of Science and Innovation - projects CTQ2016-76061-P and PID2019-110091 GB-I00, and the ‘María de Maeztu’ (CEX2018- 000805-M) Program for Centers of Excellence in R&DProject
Gobierno de España. CTQ2016-76061-P; Gobierno de España. PID2019-110091GB-I00; Gobierno de España. CEX2018-000805-MEditor's Version
http:\\doi.org\10.1016/j.apsusc.2021.149311Subjects
Molecular adsorption; Organic/metal interfaces; Surface electronic structure; Ultrafast electron dynamics; Wave packet propagation; FísicaRights
© 2021 The AuthorsEsta obra está bajo una licencia de Creative Commons Reconocimiento-NoComercial-SinObraDerivada 4.0 Internacional.
Abstract
Ultrafast electron transfer between adsorbed organic molecules and metal substrates is studied. In particular, the dynamics of the active electron in the nitroethylene anion/metal-copper surface system has been followed in real time using a wave packet propagation approach, allowing a rigorous analysis of the decay of molecule-localized electronic resonances. We find that the strong coupling with the metal substrate leads to an extremely short lifetime (~1fs) of the π∗ molecular resonance. Comparison between the free-electron metal, Cu(1 0 0), and Cu(1 1 1) surfaces demonstrates that the electronic band structure of the substrate and the shape of the decaying molecular orbital lead to a highly marked anisotropy of the metal continuum states populated by resonant electron transfer from the adsorbate. This finding points at possible anisotropy effects in adsorbate–adsorbate interactions and it is of particular importance in molecular self assembly at metal surfaces, thus opening the way to a rational design of hybrid metal/organic interfaces with tailored electronic properties
Files in this item
Google Scholar:Aguilar-Galindo Rodríguez, Fernando
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Borisov, Andrey G.
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Díaz-Tendero Victoria, Sergio
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