Promising hole-transporting materials for perovskite solar cells: Modulation of the electron-deficient units in triphenylamine derivative-based molecules |
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| Authors: | Xiaorui Liu Min Zhang |
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| Affiliation: | Key Laboratory of Luminescent and Real-Time Analytical Chemistry (Southwest University), Ministry of Education, School of Chemistry and Chemical Engineering, Southwest University, Chongqing, China |
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| Abstract: | Modulation of the electron-deficient π-bridge units in 4-methoxy-N-(4-methoxyphenyl)-N-phenylbenzenamine (MeTPA)-based hole-transporting materials (HTMs) is a significant approach to improve hole mobility of HTMs for perovskite solar cells (PSCs). In this study, a class of simple MeTPA-based HTMs (H1-H4) with different π-bridged electron-deficient units were designed for the purpose of providing a theoretical model to obtain potential MeTPA-based HTMs. The results indicated that H2 to H4 exhibit better performance, such as larger Stokes shifts, smaller exciton-binding energy, better stability, good solubility, and higher hole mobility, in comparison with the parental material H1. H2 to H4 materials with high hole mobility (5.45 × 10−4, 2.70 × 10−1, and 3.99 × 10−3 cm2 V−1 second−1, respectively) may embody promising HTMs to yield good performance in PSCs. Therefore, the useful information obtained regarding control of the electron-deficient π-bridge units of MeTPA-based HTMs is an effective way to obtain excellent HTMs for PSC applications. |
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| Keywords: | charge transfer condensed rings hole mobility hole-transporting materials perovskite solar cells |
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