Rational Molecular Design of Multifunctional Self-assembled Monolayers for Efficient Hole Selection and Buried Interface Passivation in Inverted Perovskite Solar Cells

Overview

Journal Chem Sci

Publisher Royal Society of Chemistry

Specialty Chemistry

Date 2024 Feb 26

PMID 38404377

Authors

Wenlin Jiang

Ming Liu

Yanxun Li

Francis R Lin

Alex K-Y Jen

Affiliations

Soon will be listed here.

Abstract

Self-assembled monolayers (SAMs) have been widely employed as the bottom-contact hole-selective layer (HSL) in inverted perovskite solar cells (PSCs). Besides manipulating the electrical properties, molecularly engineering the SAM provides an opportunity to modulate the perovskite buried interface. Here, we successfully introduced Lewis-basic oxygen and sulfur heteroatoms through rational molecular design of asymmetric SAMs to obtain two novel multifunctional SAMs, CbzBF and CbzBT. Detailed characterization of single-crystal structures and device interfaces shows that enhanced packing, more effective ITO work function adjustment, and buried interface passivation were successfully achieved. Consequently, the champion PSC employing CbzBT showed an excellent power conversion efficiency (PCE) of 24.0% with a high fill factor of 84.41% and improved stability. This work demonstrates the feasibility of introducing defect-passivating heterocyclic groups into SAM molecules to help passivate the interfacial defects in PSCs. The insights gained from this molecular design strategy will accelerate the development of new multifunctional SAM HSLs for efficient PSCs.

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