Conception and Theoretical Study of a New Copolymer Based on MEH-PPV and P3HT: Enhancement of the Optoelectronic Properties for Organic Photovoltaic Cells

Abstract

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.

Modeling of the photophysical and photovoltaic properties of an active layer based on the organic composite poly(2‐methoxy‐5‐(2‐ethyl‐hexyloxy)‐1,4‐phenylene‐vinylene) (MEH‐PPV)–poly(3‐hexylthiophene) (P3HT): (6,6)‐phenyl C61 butyric acid methyl ester (PCBM)

“…According to Figure 8 and Table 3 we notice that the V oc and FF of C1 (MEH-PPV-P3HT (Block): PCBM) are close to those of MEH-PPV: PCBM and those of C2 (MEH-PPV-P3HT (Ramif): PCBM) are near to the V oc and FF of P3HT: PCBM. These results affirm the hypothesis proposed in our previous article [12], which is the higher contribution of the P3HT and the rupture of conjugation of MEH-PPV.…”

“…As mentioned in our previous article [12], we have two composites with different architectures as their optimized structures are represented in Figure 1. The first composite is C1, which is formed by the block copolymer MEH‐PPV‐P3HT mixing with the PCBM (MEH‐PPV‐P3HT (Block): PCBM) (Figure 1A).…”

“…In our case, we have used as a donor the copolymer MEH‐PPV‐P3HT. This copolymer absorbs in the visible range and possesses low‐gap energy [12]. These properties imply that it can be implemented in the active layer.…”

A review on organic photovoltaic cell

“…Donors are generally classified according to band gap and are known as wide band gap (> 1.8 eV), such as poly (3‐hexylthiophene) (P3HT) 29,59 mid‐band gap (1.6‐1.8 eV), such as poly [N‐9′‐heptadecanyl‐2,7‐carbazol‐alt‐5,5‐(4′,7′‐di‐2‐thienyl‐2′,1′,3′‐benzothiadiazol)] (PCDTBT) 66,67 ; or narrow band gap (<1.6 eV), such as poly[[4,8‐bis [(2‐ethylhexyl) oxy] benzo [1,2‐b: 4,5‐b'] dithiophene‐2,6‐diyl] [3‐fluoro‐2‐[(2‐ethylhexyl) carbonyl] thieno [3,4‐b] thiophenediyl]] (PTB7) 68,69 . Other donor materials that are intensively studied include poly[2‐methoxy‐5‐(2′‐ethylhexyloxy)‐1,4‐phenylene vinylene] (MEH‐PPV), 70 poly[2‐methoxy‐5‐(3′,7′‐dimethyloctyloxy)‐1,4‐phenylenevinylene] (MDMO‐PPV) 64 …”

“…OPVs, which generate clean, renewable, and sustainable energy, 33,41,45,108,156‐160 have the potential to change the organic photovoltaics market, 33 as this emerging technology has numerous benefits over conventional inorganic semiconductor‐based systems 12,138 . OPVs have a short energy payback time, 33,162 they can absorb light across the solar spectrum, 64 their fabrication cost is low 35,46,92,114,136,158,16‐169 and simple, 28,92,11,73,138,160,165,170 due to the use of abundant materials, 22 can be manufactured using solution‐based processing, 62,63,72,156,165,171,17 do not require high manufacturing temperatures,…”