Detail publikace

HOMO and LUMO energy levels of N,N- dinitrophenyl-substituted polar diketopyrrolopyrroles (DPP)

Originální název

HOMO and LUMO energy levels of N,N- dinitrophenyl-substituted polar diketopyrrolopyrroles (DPP)

Anglický název

HOMO and LUMO energy levels of N,N- dinitrophenyl-substituted polar diketopyrrolopyrroles (DPP)

Jazyk

en

Originální abstrakt

Polar N,N- dinitrophenyl-substituted diketopyrrolopyrroles (DPP) were prepared. The LUMO levels (3.65-3.69 eV) are almost independent of the polar substituents. DFT calculations reveal LUMO exclusively on 2,4-dinitro-phenyl substituents. The energy of LUMO is close to the optimal range for electron donors in BHJ SC. The HOMO is tunable by the character of the polar substituents.

Anglický abstrakt

Polar N,N- dinitrophenyl-substituted diketopyrrolopyrroles (DPP) were prepared. The LUMO levels (3.65-3.69 eV) are almost independent of the polar substituents. DFT calculations reveal LUMO exclusively on 2,4-dinitro-phenyl substituents. The energy of LUMO is close to the optimal range for electron donors in BHJ SC. The HOMO is tunable by the character of the polar substituents.

BibTex


@article{BUT105577,
  author="Martin {Vala} and Jozef {Krajčovič} and Stanislav {Luňák} and Imad {Ouzzane} and Martin {Weiter}",
  title="HOMO and LUMO energy levels of N,N- dinitrophenyl-substituted polar diketopyrrolopyrroles (DPP)",
  annote="Polar N,N- dinitrophenyl-substituted diketopyrrolopyrroles  (DPP) were prepared.
The LUMO levels (3.65-3.69 eV) are almost independent of the polar substituents.
DFT calculations reveal LUMO exclusively on 2,4-dinitro-phenyl substituents.
The energy of LUMO is close to the optimal range for electron donors in BHJ SC. 
The HOMO is tunable by the character of the polar substituents.",
  address="ELSEVIER",
  chapter="105577",
  howpublished="electronic, physical medium",
  institution="ELSEVIER",
  number="106",
  volume="2014",
  year="2014",
  month="june",
  pages="136--142",
  publisher="ELSEVIER",
  type="journal article in Web of Science"
}