Introducing ALZET?ew Model 2006 Pump Sign up for PNAS Online eTocs
Link: Info for AuthorsLink: Editorial BoardLink: AboutLink: SubscribeLink: AdvertiseLink: ContactLink: Sitemap Link: PNAS Home
Proceedings of the National Academy of Sciences
Link: Current Issue "" Link: Archives "" Link: Online Submission ""  Link: Advanced Search

Published online on April 23, 2002, 10.1073/pnas.092143399
PNAS | April 30, 2002 | vol. 99 | no. 9 | 5804-5809


This Article
Right arrow Full Text
Right arrow Full Text (PDF)
Right arrow Alert me when this article is cited
Right arrow Alert me if a correction is posted
Right arrow Citation Map
Services
Right arrow Email this article to a colleague
Right arrow Similar articles in this journal
Right arrow Similar articles in ISI Web of Science
Right arrow Similar articles in PubMed
Right arrow Alert me to new issues of the journal
Right arrow Add to My File Cabinet
Right arrow Download to citation manager
Right arrow Request Copyright Permission
Citing Articles
Right arrow Citing Articles via HighWire
Right arrow Citing Articles via CrossRef
Right arrow Citing Articles via ISI Web of Science (173)
Right arrow Citing Articles via Google Scholar
Google Scholar
Right arrow Articles by Brédas, J. L.
Right arrow Articles by Cornil, J.
Right arrow Search for Related Content
PubMed
Right arrow PubMed Citation
Right arrow Articles by Brédas, J. L.
Right arrow Articles by Cornil, J.
Social Bookmarking
Add to CiteULike   Add to Complore   Add to Connotea   Add to Del.icio.us   Add to Digg  
What's this?

 Previous Article  | Table of Contents |  Next Article 

Chemistry
 Organic semiconductors: A theoretical characterization of the basic parameters governing charge transport

J. L. Brédas*,dagger ,Dagger , J. P. Calbert*,dagger , D. A. da Silva Filho*, and J. Cornil*,dagger

* Department of Chemistry, University of Arizona, Tucson, AZ 85721-0041; and dagger  Laboratory for Chemistry of Novel Materials, Center for Research on Molecular Electronics and Photonics, University of Mons-Hainaut, Place du Parc 20, B-7000 Mons, Belgium

Communicated by Alan J. Heeger, University of California, Santa Barbara, CA, March 12, 2002 (received for review December 11, 2001)

Organic semiconductors based on pi -conjugated oligomers and polymers constitute the active elements in new generations of plastic (opto)electronic devices. The performance of these devices depends largely on the efficiency of the charge-transport processes; at the microscopic level, one of the major parameters governing the transport properties is the amplitude of the electronic transfer integrals between adjacent oligomer or polymer chains. Here, quantum-chemical calculations are performed on model systems to address the way transfer integrals between adjacent chains are affected by the nature and relative positions of the interacting units. Compounds under investigation include oligothienylenes, hexabenzocoronene, oligoacenes, and perylene. It is shown that the amplitude of the transfer integrals is extremely sensitive to the molecular packing. Interestingly, in contrast to conventional wisdom, specific arrangements can lead to electron mobilities that are larger than hole mobilities, which is, for instance, the case of perylene.

Dagger To whom reprint requests should be addressed at: University of Arizona, Department of Chemistry, P.O. Box 210041, Tucson, AZ 85721. E-mail: jlbredas{at}u.arizona.edu.

www.pnas.org/cgi/doi/10.1073/pnas.092143399
Add to CiteULike CiteULike   Add to Complore Complore   Add to Connotea Connotea   Add to Del.icio.us Del.icio.us   Add to Digg Digg    What's this?


This article has been cited by other articles in HighWire Press-hosted journals:


Home page
 Proc. Natl. Acad. Sci. USAHome page
X. Lin, J. Li, C. J. Forst, and S. Yip
Multiple self-localized electronic states in trans-polyacetylene
PNAS, June 13, 2006; 103(24): 8943 - 8946.
[Abstract] [Full Text] [PDF]

Home page
 Proc. Natl. Acad. Sci. USAHome page
D. S. Seferos, S. A. Trammell, G. C. Bazan, and J. G. Kushmerick
Molecular Electronics Special Feature: Probing {pi}-coupling in molecular junctions
PNAS, June 21, 2005; 102(25): 8821 - 8825.
[Abstract] [Full Text] [PDF]