KOPS - Das Institutionelle Repositorium der Universität Konstanz

Raman Scattering from a Molecule-Semiconductor Interface Tuned by an Electric Field : Density Functional Theory Approach

Raman Scattering from a Molecule-Semiconductor Interface Tuned by an Electric Field : Density Functional Theory Approach

Zitieren

Dateien zu dieser Ressource

Dateien Größe Format Anzeige

Zu diesem Dokument gibt es keine Dateien.

HILTY, Floyd W., Andrew K. KUHLMAN, Fabian PAULY, Alexey T. ZAYAK, 2015. Raman Scattering from a Molecule-Semiconductor Interface Tuned by an Electric Field : Density Functional Theory Approach. In: The Journal of Physical Chemistry C. 119(40), pp. 23113-23118. ISSN 1932-7447. eISSN 1932-7455

@article{Hilty2015Raman-32349, title={Raman Scattering from a Molecule-Semiconductor Interface Tuned by an Electric Field : Density Functional Theory Approach}, year={2015}, doi={10.1021/acs.jpcc.5b08089}, number={40}, volume={119}, issn={1932-7447}, journal={The Journal of Physical Chemistry C}, pages={23113--23118}, author={Hilty, Floyd W. and Kuhlman, Andrew K. and Pauly, Fabian and Zayak, Alexey T.} }

<rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bibo="http://purl.org/ontology/bibo/" xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:dcterms="http://purl.org/dc/terms/" xmlns:xsd="http://www.w3.org/2001/XMLSchema#" > <rdf:Description rdf:about="https://kops.uni-konstanz.de/rdf/resource/123456789/32349"> <dcterms:abstract xml:lang="eng">Spectroscopic chemical characterization of atomic-scale interfaces is a challenging scientific problem. In the search for new spectroscopic capabilities, we investigate nonresonant Raman interactions that occur at the interface between organic adsorbates and inorganic surfaces. Our system is a trans-1,2-bis(4-pyridyl)ethylene molecule adsorbed to a semiconductor PbSe surface. We employ first-principles density functional methods to investigate the vibrational dynamics and Raman spectra of this absorbate–surface motif, and use an external electric bias to tune the degree of the interfacial chemical coupling. As a result, changes in the Raman spectra reveal a continuous transition between the weak and the strong coupling regimes. The strong coupling is associated with the vibration-induced charge transfer, which appears to be a damping mechanism that caps the chemical enhancement (CE) of the Raman spectra. This effect reduces the potential of CE to be used as merely an enhancing mechanism, but shows the potential of Raman scattering to probe changes in the interfacial electronic structure.</dcterms:abstract> <dc:language>eng</dc:language> <dc:creator>Zayak, Alexey T.</dc:creator> <dcterms:issued>2015</dcterms:issued> <dc:creator>Pauly, Fabian</dc:creator> <dcterms:available rdf:datatype="http://www.w3.org/2001/XMLSchema#dateTime">2015-12-07T08:54:50Z</dcterms:available> <dcterms:title>Raman Scattering from a Molecule-Semiconductor Interface Tuned by an Electric Field : Density Functional Theory Approach</dcterms:title> <dc:creator>Hilty, Floyd W.</dc:creator> <dc:creator>Kuhlman, Andrew K.</dc:creator> <dc:contributor>Zayak, Alexey T.</dc:contributor> <bibo:uri rdf:resource="https://kops.uni-konstanz.de/handle/123456789/32349"/> <dc:date rdf:datatype="http://www.w3.org/2001/XMLSchema#dateTime">2015-12-07T08:54:50Z</dc:date> <dc:contributor>Hilty, Floyd W.</dc:contributor> <dc:contributor>Kuhlman, Andrew K.</dc:contributor> <dc:contributor>Pauly, Fabian</dc:contributor> </rdf:Description> </rdf:RDF>

Das Dokument erscheint in:

KOPS Suche


Stöbern

Mein Benutzerkonto