Core Structure Engineering in Hole‐Transport Materials to Achieve Highly Efficient Perovskite Solar Cells

Abstract

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Pyridine-triphenylamine hole transport material for inverted perovskite solar cells

“…It was found that the hole mobility of H-Pyr (3.48 Â 10 -7 cm 2 V À1 s À1 ) is higher than that of H-Ben (2.08 Â 10 -7 cm 2 V À1 s À1 ). Similar phenomena were also found in some previous reports that introduction of pyridine unit into benzene core of triphenylamine-based HTMs causes the improvement of mobility [21,26]. Interestingly, in our previous research, pyridine unit was introduced as the terminal arms of HTM but decreased mobility was observed, which is different from the result in this paper [17].…”

“…1, calculated using TDDFT under the B3LYP/6-311G* level, dichloromethane as solvent and PCM as As a result, H-Pyr has more planar configuration and thus tighter molecular packing than H-Ben. The improved planarity also increases the length of conjugation [20,21]. It is noted that the electron cloud of HOMO for H-Pyr is delocalized within two of the three terminal arms, while that for H-Ben is delocalized within one of the three arms.…”

Pyridine Bridging Diphenylamine-Carbazole with Linking Topology as Rational Hole Transporter for Perovskite Solar Cells Fabrication

“…Up to now, the 6 -tetrakis(4-methoxyphenyl)-9H-carbazole-3,6-diamine) (DANCBZ) moiety have been demonstrated to be a valuable arm for the designing of molecular HTMs owing to their superior charge-transporting ability, stability and low-cost. [29][30][31][32][33][34][35][36] More importantly, linking topologies in molecular designing is an effective method to finetune electro-optical properties of materials. [37][38][39][40][41] For example, Sun et al systemically studied the impact of linking topology of carbazole-based arm on basic properties, found that HTMs based on carbazole-based arm with 2,7-substitution display higher hole mobility and conductivity than that of HTMs with 3,6-substitution.…”

Recent Advances in Organic Hole Transporting Materials for Perovskite Solar Cells

“…Carbazole‐based materials, JY8 and JY5, showed significantly different photovoltaic performance with PCEs of 19.14% and 17.13%, respectively. [ 44 ] From a structural point of view, both molecules have the same N 3 , N 3 , N 6 , N 6 ‐tetrakis(4‐methoxyphenyl)‐9‐phenyl‐9H‐carbazole‐3,6‐diamine peripheral groups, whereas the core structures are thiadiazolopyridine (PT) and benzothiadiazole for JY8 and JY5. The robust electron‐withdrawing ability of PT does not only make higher intermolecular dipole–dipole interaction, but also creates more planar configuration in the central segment, which is beneficial for enhancement of charge‐transporting capacity.…”