We present a theoretical study of the transport parameters in a prototype conjugated-polymer, poly-para-phenylenevinylene, in two different possible crystalline packings. Our analysis is performed through density-functional electronic structure calculations, and allows one to obtain the fundamental parameters describing charge transport. The transfer integrals are found to be a crucial quantity to appreciate the effects of crystalline aggregation on conduction properties: our results indicate that interchain interactions can be viewed as a tunable parameter for the design of efficient electronic devices based on organic materials.

The sensitivity of interchain interactions to the specific three-dimensional (3D) structure was demonstrated. It was confirmed that the interactions can be used to tailor the transport properties of conjugated-polymer films.

Electronic properties of polymer crystals: The effect of interchain interactions / Ruini, Alice; Molinari, Elisa; Caldas, Marilia J.; Ferretti, Andrea. - In: PHYSICAL REVIEW LETTERS. - ISSN 0031-9007. - STAMPA. - 90:8(2003), pp. 086401/1-086401/4. [10.1103/PhysRevLett.90.086401]

Electronic properties of polymer crystals: The effect of interchain interactions

Ruini, Alice;Molinari, Elisa;FERRETTI, Andrea
2003

Abstract

The sensitivity of interchain interactions to the specific three-dimensional (3D) structure was demonstrated. It was confirmed that the interactions can be used to tailor the transport properties of conjugated-polymer films.
2003
90
8
086401/1
086401/4
Electronic properties of polymer crystals: The effect of interchain interactions / Ruini, Alice; Molinari, Elisa; Caldas, Marilia J.; Ferretti, Andrea. - In: PHYSICAL REVIEW LETTERS. - ISSN 0031-9007. - STAMPA. - 90:8(2003), pp. 086401/1-086401/4. [10.1103/PhysRevLett.90.086401]
Ruini, Alice; Molinari, Elisa; Caldas, Marilia J.; Ferretti, Andrea
File in questo prodotto:
File Dimensione Formato  
ferr+03prl.pdf

Accesso riservato

Tipologia: Versione pubblicata dall'editore
Dimensione 209.49 kB
Formato Adobe PDF
209.49 kB Adobe PDF   Visualizza/Apri   Richiedi una copia
Pubblicazioni consigliate

Licenza Creative Commons
I metadati presenti in IRIS UNIMORE sono rilasciati con licenza Creative Commons CC0 1.0 Universal, mentre i file delle pubblicazioni sono rilasciati con licenza Attribuzione 4.0 Internazionale (CC BY 4.0), salvo diversa indicazione.
In caso di violazione di copyright, contattare Supporto Iris

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11380/1149313
Citazioni
  • ???jsp.display-item.citation.pmc??? 4
  • Scopus 4
  • ???jsp.display-item.citation.isi??? 59
social impact