Abstract
Abstract: In this study, we have designed small molecule acceptors for organic solar cells by the modification of pi-spacers. Different thiophene derivatives and furan were used as pi-spacers. Theoretical calculations were performed to understand the effect on energy level and spectral profile. We have also predicted some performance parameters for solar cells. The results indicate that pi-spacers have minor effect on LUMO energy levels, while have notice able effect on HOMO. P2 (dithiophene) have shown highest performance among all the studied pi-spacers (P0–P4). These results specify that the quantum designing of acceptors with slight change in energy level is an effective way to get high efficiency with same donor. Graphical Abstract: Molecular framework for designing of small-molecule acceptors towards quantum design of organic solar cells and NLO compounds.
| Original language | English |
|---|---|
| Pages (from-to) | 2419-2431 |
| Number of pages | 13 |
| Journal | Journal of Cluster Science |
| Volume | 28 |
| Issue number | 5 |
| DOIs | |
| State | Published - 1 Sep 2017 |
Bibliographical note
Publisher Copyright:© 2017, Springer Science+Business Media New York.
UN SDGs
This output contributes to the following UN Sustainable Development Goals (SDGs)
-
SDG 7 Affordable and Clean Energy
Keywords
- DFT
- NLO
- Pi-spacers
- Solar cell
- Thiophene
ASJC Scopus subject areas
- Biochemistry
- General Chemistry
- General Materials Science
- Condensed Matter Physics
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