Semiconductores orgánicos pi-conjugados basados en tiofenoun estudio teórico

  1. García Moreno, Gregorio
Supervised by:
  1. Amparo Navarro Rascón Director
  2. Manuel Fernández Gómez Director

Defence university: Universidad de Jaén

Fecha de defensa: 31 May 2012

Committee:
  1. Enrique Ortí Guillén Chair
  2. María Paz Fernández-Liencres de la Torre Secretary
  3. Ilaria Ciofini Committee member
Department:
  1. QUÍMICA FÍSICA Y ANALÍTICA

Type: Thesis

Teseo: 363746 DIALNET lock_openRUJA editor

Abstract

This Ph.D. Thesis presents a predictive study of charge transport related properties at molecular scale for different thiophene-based organic semiconductor materials by means of theoretical methodology (ab initio, DFT and semiempirical calculations) as a previous step to design organic semiconductor devices. This allows us to propose structural and chemical modifications, which produce new materials with improved features. We have selected three families of compounds: Polythiophene derivatives, Poly(Arylethynyl-thienoacenes) and discotic systems.