Optical Properties of Donor–Acceptor Conjugated Copolymers: A Computational Study
FRADON, Alexis
Laboratoire de Chimie des Polymères Organiques [LCPO]
Team 4 LCPO : Polymer Materials for Electronic, Energy, Information and Communication Technologies
Laboratoire de Chimie des Polymères Organiques [LCPO]
Team 4 LCPO : Polymer Materials for Electronic, Energy, Information and Communication Technologies
CLOUTET, Eric
Team 4 LCPO : Polymer Materials for Electronic, Energy, Information and Communication Technologies
Laboratoire de Chimie des Polymères Organiques [LCPO]
Team 4 LCPO : Polymer Materials for Electronic, Energy, Information and Communication Technologies
Laboratoire de Chimie des Polymères Organiques [LCPO]
HADZIIOANNOU, Georges
Laboratoire de Chimie des Polymères Organiques [LCPO]
Team 4 LCPO : Polymer Materials for Electronic, Energy, Information and Communication Technologies
Voir plus >
Laboratoire de Chimie des Polymères Organiques [LCPO]
Team 4 LCPO : Polymer Materials for Electronic, Energy, Information and Communication Technologies
FRADON, Alexis
Laboratoire de Chimie des Polymères Organiques [LCPO]
Team 4 LCPO : Polymer Materials for Electronic, Energy, Information and Communication Technologies
Laboratoire de Chimie des Polymères Organiques [LCPO]
Team 4 LCPO : Polymer Materials for Electronic, Energy, Information and Communication Technologies
CLOUTET, Eric
Team 4 LCPO : Polymer Materials for Electronic, Energy, Information and Communication Technologies
Laboratoire de Chimie des Polymères Organiques [LCPO]
Team 4 LCPO : Polymer Materials for Electronic, Energy, Information and Communication Technologies
Laboratoire de Chimie des Polymères Organiques [LCPO]
HADZIIOANNOU, Georges
Laboratoire de Chimie des Polymères Organiques [LCPO]
Team 4 LCPO : Polymer Materials for Electronic, Energy, Information and Communication Technologies
Laboratoire de Chimie des Polymères Organiques [LCPO]
Team 4 LCPO : Polymer Materials for Electronic, Energy, Information and Communication Technologies
BROCHON, Cyril
Laboratoire de Chimie des Polymères Organiques [LCPO]
Team 4 LCPO : Polymer Materials for Electronic, Energy, Information and Communication Technologies
< Réduire
Laboratoire de Chimie des Polymères Organiques [LCPO]
Team 4 LCPO : Polymer Materials for Electronic, Energy, Information and Communication Technologies
Langue
en
Article de revue
Ce document a été publié dans
Chemical Physics Letters. 2017, vol. 678, p. 9-16
Elsevier
Résumé en anglais
TDDFT calculations are associated to an extrapolation scheme to predict the optical properties of twelve donor-acceptor copolymers, in which carbazole, benzodithiophene or cyclopentadithiophene donor subunits are combined ...Lire la suite >
TDDFT calculations are associated to an extrapolation scheme to predict the optical properties of twelve donor-acceptor copolymers, in which carbazole, benzodithiophene or cyclopentadithiophene donor subunits are combined to benzofurazane, benzothiadiazole or diketopyrrolopyrrole acceptor moieties. Relative excitation energies and absorption strengths are rationalized in terms of geometrical, electronic and optical descriptors. It is shown that the combination of a cyclopentadithiophene with a diketopyrrolopyrrole leads to the lowest excitation energy and highest light absorption efficiency within the series. However, combining cyclopentadithiophene and benzodithiophene subunits appears as more efficient for solar cell applications due to better energy level alignment with respect to PCBM.< Réduire
Mots clés en anglais
solar cell
donor-acceptor copolymer
TDDFT
Origine
Importé de halUnités de recherche