Rational molecular design of multifunctional self-assembled monolayers for efficient hole selection and buried interface passivation in inverted perovskite solar cells

Wenlin Jiang; Ming Liu; Yanxun Li; Francis R. Lin; Alex K.-Y. Jen

doi:10.1039/d3sc05485c

Rational molecular design of multifunctional self-assembled monolayers for efficient hole selection and buried interface passivation in inverted perovskite solar cells

Wenlin Jiang, Ming Liu, Yanxun Li, Francis R. Lin, Alex K.-Y. Jen^*

^*Corresponding author for this work

Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

66 Citations (Scopus)

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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. © 2024 The Royal Society of Chemistry.

Original language	English
Pages (from-to)	2778-2785
Number of pages	8
Journal	Chemical Science
Volume	15
Issue number	8
Online published	17 Jan 2024
DOIs	https://doi.org/10.1039/d3sc05485c
Publication status	Published - 28 Feb 2024

Funding

A. K. Y. J. acknowledges the sponsorship of the Lee Shau-Kee Chair Professor (Materials Science), and the support from the APRC Grants (9380086, 9610419, 9610492, and 9610508) of the City University of Hong Kong, the TCFS Grant (GHP/018/20SZ) and MRP Grant (MRP/040/21X) from the Innovation and Technology Commission of Hong Kong, the Green Tech Fund (202020164) from the Environment and Ecology Bureau of Hong Kong, the GRF grants (11307621 and 11316422) from the Research Grants Council of Hong Kong, the Shenzhen Science and Technology Program (SGDX20201103095412040), and the Guangdong Major Project of Basic and Applied Basic Research (2019B030302007).

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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. {\textcopyright} 2024 The Royal Society of Chemistry.",

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Rational molecular design of multifunctional self-assembled monolayers for efficient hole selection and buried interface passivation in inverted perovskite solar cells. / Jiang, Wenlin; Liu, Ming; Li, Yanxun et al.
In: Chemical Science, Vol. 15, No. 8, 28.02.2024, p. 2778-2785.

Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

TY - JOUR

T1 - Rational molecular design of multifunctional self-assembled monolayers for efficient hole selection and buried interface passivation in inverted perovskite solar cells

AU - Jiang, Wenlin

AU - Liu, Ming

AU - Li, Yanxun

AU - Lin, Francis R.

AU - Jen, Alex K.-Y.

PY - 2024/2/28

Y1 - 2024/2/28

N2 - 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. © 2024 The Royal Society of Chemistry.

AB - 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. © 2024 The Royal Society of Chemistry.

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Rational molecular design of multifunctional self-assembled monolayers for efficient hole selection and buried interface passivation in inverted perovskite solar cells

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GRF: Molecular Engineering of 1D Hybrid Perovskites for Improving the Performance and Stability of Metal Halide Perovskite Solar Cells

ITF: Development of Efficient and Stable Perovskite Solar Cell with Safe-to-Use

GRF: Rational Design and Synthesis of a New Class of Non-Fullerene Acceptors and Matched Donor Polymers for Highly Efficient Organic Photovoltaics

Cite this

Rational molecular design of multifunctional self-assembled monolayers for efficient hole selection and buried interface passivation in inverted perovskite solar cells

Abstract

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Publisher's Copyright Statement

UN SDGs

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Projects

GRF: Molecular Engineering of 1D Hybrid Perovskites for Improving the Performance and Stability of Metal Halide Perovskite Solar Cells

ITF: Development of Efficient and Stable Perovskite Solar Cell with Safe-to-Use

GRF: Rational Design and Synthesis of a New Class of Non-Fullerene Acceptors and Matched Donor Polymers for Highly Efficient Organic Photovoltaics

Cite this