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Polarization-dependent effects in vibrational absorption spectra of 2D finite-size adsorbate islands on dielectric substrates

Zerulla, Benedikt ORCID iD icon 1; Krstić, Marjan 2; Chen, Shuang 3; Yu, Zairan 3; Beutel, Dominik ORCID iD icon 2; Holzer, Christof 2; Nyman, Markus 1; Nefedov, Alexei 3; Wang, Yuemin 3; Mayerhöfer, Thomas G.; Wöll, Christof 3; Rockstuhl, Carsten 1,2
1 Institut für Nanotechnologie (INT), Karlsruher Institut für Technologie (KIT)
2 Institut für Theoretische Festkörperphysik (TFP), Karlsruher Institut für Technologie (KIT)
3 Institut für Funktionelle Grenzflächen (IFG), Karlsruher Institut für Technologie (KIT)

Abstract:

In the last few years, infrared reflection–absorption spectroscopy (IRRAS) has become a standard technique to study vibrational excitations of molecules. These investigations are strongly motivated by potential applications in monitoring chemical processes. For a better understanding of the adsorption mechanism of molecules on dielectrics, the polarization-dependence of an interaction of infrared light with adsorbates on dielectric surfaces is commonly used. Thus, the peak positions in absorption spectra could be different for s- and p-polarized light. This shift between the peak positions depends on both the molecule itself and the dielectric substrate. While the origin of this shift is well understood for infinite two-dimensional adsorbate layers, finite-size samples, which consist of 2D islands of a small number of molecules, have never been considered. Here, we present a study on polarization-dependent finite-size effects in the optical response of such islands on dielectric substrates. The study uses a multi-scale modeling approach that connects quantum chemistry calculations with Maxwell scattering simulations. We distinguish the optical response of a single molecule, a finite number of molecules, and a two-dimensional adsorbate layer. ... mehr


Verlagsausgabe §
DOI: 10.5445/IR/1000170588
Veröffentlicht am 10.05.2024
Originalveröffentlichung
DOI: 10.1039/d4cp00860j
Scopus
Zitationen: 2
Web of Science
Zitationen: 1
Dimensions
Zitationen: 2
Cover der Publikation
Zugehörige Institution(en) am KIT Institut für Funktionelle Grenzflächen (IFG)
Institut für Nanotechnologie (INT)
Institut für Theoretische Festkörperphysik (TFP)
Publikationstyp Zeitschriftenaufsatz
Publikationsdatum 14.05.2024
Sprache Englisch
Identifikator ISSN: 1463-9076, 1463-9084
KITopen-ID: 1000170588
HGF-Programm 43.32.02 (POF IV, LK 01) Designed Optical Materials
Erschienen in Physical Chemistry Chemical Physics
Verlag Royal Society of Chemistry (RSC)
Band 26
Heft 18
Seiten 13683–13693
Vorab online veröffentlicht am 12.04.2024
Nachgewiesen in Scopus
Web of Science
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