| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5380620 | Chemical Physics Letters | 2014 | 6 Pages |
Abstract
- We obtained two stable isomers of the supramolecular P3HT-PCBM dimer via DFT.
- Non-covalent bonds are formed between the P3HT and the PCBM in the P3HT-PCBM dimer.
- The energy gap of the dimer is reduced by about 70% with respect to isolated P3HT.
- There is a blue-shift on the maximum absorption peaks in the P3HT-PCBM dimer.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Israel Gutiérrez-González, Bertha Molina-Brito, Andreas W. Götz, F.L. Castillo-Alvarado, Juan I. RodrÃguez,