Toward a rational design of poly(2,7-carbazole) derivatives for solar cells

Download
  1. Get@NRC: Toward a rational design of poly(2,7-carbazole) derivatives for solar cells (Opens in a new window)
DOIResolve DOI: http://doi.org/10.1021/ja0771989
AuthorSearch for: ; Search for: ; Search for: ; Search for: ; Search for: ; Search for: ; Search for: ; Search for: ; Search for: ; Search for:
TypeArticle
Journal titleJournal of the American Chemical Society
Volume130
Issue2
Pages732742; # of pages: 11
AbstractOn the basis of theoretical models and calculations, several alternating polymeric structures have been investigated to develop optimized poly(2,&-carbazole) derivatives for solar cell applications. Selected low band gap alternating copolymers have been obtained via a Suzuki coupling reaction. A good correlation between DFT theoretical calculations performed on model compounds and the experimental HOMO, LUMO, and band gap energies of the corresponding polymers has been obtained. This study reveals that the alternating copolymer HOMO energy level is mainly fixed by the carbazole moiety, whereas the LUMO energy level is mainly related to the nature of the electron-withdrawing comonomer. However, solar cell performances are not solely driven by the energy levels of the materials. Clearly, the molecular weight and the overal organization of the polymers are other important key parameters to consider when developing new polymers for solar cells. Preliminary measurements have revealed hole mobilities of about 1 x 10⁻³ cm²∙V⁻¹∙s⁻¹ and a power conversion efficiency (PCE) up to 3.6%. further improvements are anticipated through a rational design of new symmetric low band gap poly(2,7-carbazole) derivatives.
Publication date
LanguageEnglish
AffiliationNational Research Council Canada; NRC Institute for Microstructural Sciences
Peer reviewedNo
NPARC number12744337
Export citationExport as RIS
Report a correctionReport a correction
Record identifierc122f950-9dc9-4552-9a92-f036aa35c5b6
Record created2009-10-27
Record modified2016-05-09
Bookmark and share
  • Share this page with Facebook (Opens in a new window)
  • Share this page with Twitter (Opens in a new window)
  • Share this page with Google+ (Opens in a new window)
  • Share this page with Delicious (Opens in a new window)