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Rapid determination of polarizability exaltation in fullerene-based nanostructures

The polarizability of fullerenes may be used in the design of nanostructures with specific properties and behaviour. Recent studies have been reported on the exaltation of polarizability, for which costly quantum-mechanical studies were needed. Here we report the results of Thole’s polarizability model that correctly predicts the exaltation effect in a matter of seconds

The following organizations are thanked for financial support: the Ministerio de Ciencia e Innovacion (MICINN, project number CTQ2011-25086/BQU), and the DIUE of the Generalitat de Catalunya (project number 2014SGR1202 and the XRQTC). Financial support from MICINN (Ministry of Science and Innovation, Spain) and the FEDER fund (European Fund for Regional Development) was provided by grant UNGI08-4E-003

Royal Society of Chemistry (RSC)

Director: Ministerio de Ciencia e Innovación (Espanya)
Generalitat de Catalunya. Agència de Gestió d’Ajuts Universitaris i de Recerca
Autor: Swart, Marcel
Duijnen, Petrus Theodorus van‏
Data: 7 gener 2015
Resum: The polarizability of fullerenes may be used in the design of nanostructures with specific properties and behaviour. Recent studies have been reported on the exaltation of polarizability, for which costly quantum-mechanical studies were needed. Here we report the results of Thole’s polarizability model that correctly predicts the exaltation effect in a matter of seconds
The following organizations are thanked for financial support: the Ministerio de Ciencia e Innovacion (MICINN, project number CTQ2011-25086/BQU), and the DIUE of the Generalitat de Catalunya (project number 2014SGR1202 and the XRQTC). Financial support from MICINN (Ministry of Science and Innovation, Spain) and the FEDER fund (European Fund for Regional Development) was provided by grant UNGI08-4E-003
Format: application/pdf
Accés al document: http://hdl.handle.net/10256/11440
Llenguatge: eng
Editor: Royal Society of Chemistry (RSC)
Col·lecció: info:eu-repo/semantics/altIdentifier/doi/10.1039/c4tc02060j
info:eu-repo/semantics/altIdentifier/issn/2050-7534
info:eu-repo/grantAgreement/MICINN//CTQ2011-25086/ES/MODELIZACION MULTIESCALAR EN (BIO)QUIMICA/
AGAUR/2014-2017/2014SGR1202
Drets: Tots els drets reservats
Matèria: Polarització (Física nuclear)
Polarization (Nuclear physics)
Nanoestructures
Nanostructures
Ful·lerens
Fullerenes
Títol: Rapid determination of polarizability exaltation in fullerene-based nanostructures
Tipus: info:eu-repo/semantics/article
Repositori: DUGiDocs

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