What Should be Considered While Designing Hole-Transporting Material for Perovskite Solar Cells? A Special Attention to Thiophene-Based Hole-Transporting Materials

The molecular design and conformations of hole-transporting materials (HTM) have unravelled a strategy to enhance the performance of environmentally sustainable perovskite solar cells (PSC). Several attempts have been made and several are underway for improving the efficiency of PSCs by designing an efficient HTM, which is crucial to preventing corrosion, facilitating effective hole transportation, and preventing charge recombination. There is a need for a potential alternative to the current market-dominating HTM due to its high cost of production, dopant requirements, moisture sensitivity, and low stability. Among several proposed HTMs, molecules derived from thiophene exhibit unique behaviour, such as the interaction with under-coordinated Pb²⁺, thereby facilitating the passivation of surface defects in the perovskite layer. In addition, coupling a suitable side chain imparts a hydrophobic character, eventually leading to the development of a moisture-sensitive and highly stable PSC. Furthermore, thiophene-backboned polymers with ionic pendants have been employed as an interfacial layer between PSC layers, with the backbone facilitating efficient charge transfer. This perspective article comprehensively presents the design strategy, characterization, and function of HTMs associated with thiophene-derived molecules. Hence, it is observed that thiophene-formulated HTMs have an enhanced passivation effect, good performance in an open-circuit environment, longevity, humidity resistance, thermostability, good hole extraction, and mobility in a dopant-free condition. For a better understanding, the article provides a comparative description of the activity and function of thiophene-based small molecules and polymers and their effect on device performance.

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