Influence of structural organization on optical and transport properties in organic materials

J. Cornil*, J. Ph Calbert, D. Beljonne, D. A. Dos Santos, J. L. Bredas

*Corresponding author for this work

Research output: Contribution to journalConference articlepeer-review

1 Scopus citations


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.

Original languageEnglish (US)
Pages (from-to)BB1.4.1-BB1.4.7
JournalMaterials Research Society Symposium - Proceedings
StatePublished - 2000
Externally publishedYes
EventElectrical, Optical, and Magnetic Properties of Organic Solid-State Materials V - Boston, MA, USA
Duration: Nov 29 2000Dec 3 2000

Bibliographical note

Funding Information:
The authors are indebted to R.H. Friend, A.B. Holmes, G. Horowitz, M. Muccini, H. Sirringhaus, and C. Taliani for stimulating discussions. This work is supported by the Belgian Federal Government ("Pôle d’Attraction Interuniversitaire en Chimie Supramoléculaire et Catalyse" - PAI 4/11), FNRS/FRFC, and the European Commission TMR program (project number 1354 SELOA) and BRITE/EURAM program (Contract BRPR - CT97-0469, OSCA). JC and DB are Chargé de Recherches and Chercheur Qualifié of the Belgian National Fund for Scientific Research (FNRS), respectively.

ASJC Scopus subject areas

  • General Materials Science
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering


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