Conception and Theoretical Study of a New Copolymer Based on MEH-PPV and P3HT: Enhancement of the Optoelectronic Properties for Organic Photovoltaic Cells.
Mariem LtayefMaha Mohammad AlmoneefWalid TaoualiMohamed MbarekKamel AlimiPublished in: Polymers (2022)
A new copolymer has been studied, which is formed by Poly(2-methoxy-5-(2-ethyl-hexyloxy)-1,4-phenylene-vinylene) (MEH-PPV) and poly(3-hexylthiophene) (P3HT). The choice of these π-conjugated polymers was based on their semiconductor characters and their great applicability in electronic organic devices. The structure and vibrational and optoelectronic properties were simulated by calculations based on DFT, TD-DFT, and ZINDO. This material shows original and unique properties compared to the basic homopolymers. Thus, the obtained results reveal that this copolymer can be mixed with the (6,6)-phenyl C61 butyric acid methyl ester (PCBM) to give existence to a new composite that can be used as an active layer for an organic solar cell.
Keyphrases
- density functional theory
- single cell
- induced apoptosis
- drug release
- water soluble
- molecular dynamics
- molecular dynamics simulations
- cell cycle arrest
- cell therapy
- photodynamic therapy
- stem cells
- ionic liquid
- cell death
- oxidative stress
- mesenchymal stem cells
- signaling pathway
- endoplasmic reticulum stress
- drug delivery
- decision making
- pi k akt
- raman spectroscopy