Charge transport in conjugated materials: From theoretical models to experimental systems

Yoann Olivier, Luca Muccioli, Claudio Zannoni, Jérôme Cornil

Résultats de recherche: Contribution dans un livre/un catalogue/un rapport/dans les actes d'une conférenceArticle dans les actes d'une conférence/un colloque

Résumé

Charge carrier mobility is the key quantity to characterize the charge transport properties in devices. Based on earlier work of Bässler and co-workers, we set up a Monte-Carlo approach that allows us to calculate mobility using transfer rates derived from Marcus theory. The parameters entering into the rate expression are evaluated by means of different quantum-chemical techniques. Our approach is applied here to a model one-dimensional system made of pentacene molecules as well as to real systems such as crystalline structures and columnar liquid crystal phases.

langue originaleAnglais
titreSelected Papers from ICNAAM 2007 and ICCMSE 2007 - Special Presentations Int. Conf. Numerical Analysis and Applied Mathematics 2007 and Int. Conf. Computational Methods in Science and Engineering 2007
Pages32-35
Nombre de pages4
Les DOIs
Etat de la publicationPublié - 22 oct. 2008
Modification externeOui
EvénementInternational Conference on Numerical Analysis and Applied Mathematics, ICNAAM 2007 and International Conference on Computational Methods in Science and Engineering, ICCMSE 2007 - Corfu, Grèce
Durée: 25 sept. 200730 sept. 2007

Série de publications

NomAIP Conference Proceedings
Volume1046
ISSN (imprimé)0094-243X
ISSN (Electronique)1551-7616

Une conférence

Une conférenceInternational Conference on Numerical Analysis and Applied Mathematics, ICNAAM 2007 and International Conference on Computational Methods in Science and Engineering, ICCMSE 2007
PaysGrèce
La villeCorfu
période25/09/0730/09/07

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