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Influence of Structural Organization On Optical and Transport Properties in Organic Materials

Published online by Cambridge University Press:  21 March 2011

J. Cornil ,
J.Ph. Calbert ,
D. Beljonne ,
D.A. Dos Santos  and
J.L. Bredas
J. Cornil
Affiliation:
Service de Chimie des Matériaux Nouveaux, Centre de Recherche en Electronique et Photonique Moléculaires, Université de Mons-Hainaut, Place du Parc 20, B-7000 Mons, Belgium
J.Ph. Calbert
Affiliation:
Service de Chimie des Matériaux Nouveaux, Centre de Recherche en Electronique et Photonique Moléculaires, Université de Mons-Hainaut, Place du Parc 20, B-7000 Mons, Belgium
D. Beljonne
Affiliation:
Service de Chimie des Matériaux Nouveaux, Centre de Recherche en Electronique et Photonique Moléculaires, Université de Mons-Hainaut, Place du Parc 20, B-7000 Mons, Belgium
D.A. Dos Santos
Affiliation:
Service de Chimie des Matériaux Nouveaux, Centre de Recherche en Electronique et Photonique Moléculaires, Université de Mons-Hainaut, Place du Parc 20, B-7000 Mons, Belgium
J.L. Bredas
Affiliation:
Service de Chimie des Matériaux Nouveaux, Centre de Recherche en Electronique et Photonique Moléculaires, Université de Mons-Hainaut, Place du Parc 20, B-7000 Mons, Belgium Department of Chemistry, The University of Arizona, 1306 E. University Blvd, Tucson, Arizona 85721-0041
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Abstract

Correlated quantum-chemical calculations performed on supermolecular structures, i.e., on clusters made of several oligomer chains in interaction, provide insight into structure-property relationships in well-organized molecular films. This supermolecular approach is applied to crystalline phases of two prototypical conjugated oligomers and shows that variations in chain packing can lead to dramatically different optical (Davydov) splittings and carrier mobilities. Optimal chain organizations for various types of devices are discussed.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 598: Symposium BB – Electrical, Optical, & Magenetic Properties...V , 1999 , BB1.4
Copyright
Copyright © Materials Research Society 1999

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