Effect of Bifunctional Molecular Passivator for Modulating Efficiency and Stability of Inverted Perovskite Solar Cells

Dhruba KHADKA^a, Yasuhiro SHIRAI^a, Masatoshi YANAGIDA^a, Hitoshi Ota^b, KENJIRO MIYANO^a

^aPhotovoltaic Materials Group, Center for GREEN Research on Energy and Environmental Materials, National Institute for Materials Science (NIMS), 1-1 Namiki, Tsukuba, Ibaraki 305-0044, Japan

^bBattery Research Platform, Research Center for Energy and Environmental Materials (GREEN), National Institute for Materials Science (NIMS), Namiki 1-1, Tsukuba 305-0044, Japan

Asia-Pacific International Conference on Perovskite, Organic Photovoltaics and Optoelectronics
Proceedings of Asia-Pacific International Conference on Perovskite, Organic Photovoltaics and Optoelectronics (IPEROP24)

Tokyo, Japan, 2024 January 21st - 23rd

Organizers: Qing Shen and James Ryan

Oral, Dhruba KHADKA, presentation 017
DOI: https://doi.org/10.29363/nanoge.iperop.2024.017
Publication date: 18th October 2023

Exceptional optoelectronic properties of metal halide perovskite have skyrocketed the power conversion efficiency of solar cells (HPSCs) by over 26.1%, approaching to Shockley–Queisser limit. Molecular passivation represents a promising avenue for enhancing both the efficiency and operational stability of perovskite solar cells.[1-3] This work reports on the effect of diammonium iodide functional molecules featuring aryl or alkyl cores onto 3D-perovskite surfaces. [1] Our findings revealed the remarkable efficacy of piperazine dihydriodide (PZDI), characterized by an alkyl core and electron-rich -NH terminal, in mitigating surface and bulk defects while modifying surface chemistry. We found that the surface passivation mitigates crystal strain and improves carrier extraction efficiency. These effects resulted in an impressive device efficiency of 23.17% (1 cm² area) with superior long-term stability. Device analysis substantiates that these robust bonding interactions reduce defect densities in the perovskite film and suppress ion migration.[4-7] This report will shed light on the synergetic effect of bifunctional molecules in defect mitigation, opening avenues for design strategies centered on bonding-regulated molecular passivation to enhance solar cell performance and stability.

References:

[1] Khadka, D. B.; Shirai, Y.; Yanagida, M.; Ota, H. Lyalin, A.; Taketsugu, T.; Miyano, K. Molecular Bonding Regulated Defect Passivation for Modulating Efficiency and Stability of Methylammonium Free Inverted Perovskite Solar Cells, 2023, https://doi.org/10.21203/rs.3.rs-3025256/v1

[2] Khadka, D. B.; Shirai, Y.; Yanagida, M.; Tadano, T.; Miyano, K. Interfacial Embedding for High‐Efficiency and Stable Methylammonium‐Free Perovskite Solar Cells with Fluoroarene Hydrazine, Advanced Energy Materials. 2022, 2202029.

[3] Khadka, D. B.; Shirai, Y.; Yanagida, M.; Tadano, T.; Miyano, K. Alleviating Defect and Oxidation in Tin Perovskite Solar Cells Using a Bidentate Ligand, Chem. Mater. 2023, 35, 11, 4250–4258.

[4] Khadka, D. B.; Shirai, Y.; Yanagida, M.; Miyano, K. Analysis of Degradation Kinetics of Halide Perovskite Solar Cells Induced by Light and Heat Stress, Solar Energy Materials and Solar Cells. 2022, 246, 111899.

[5] Khadka, D. B.; Shirai, Y.; Yanagida, M.; Miyano, K. Insights into Accelerated Degradation of Perovskite Solar Cells under Continuous Illumination Driven by Thermal Stress and Interfacial Junction, ACS Applied Energy Materials, 2021, 4, 11121-11132.

[6] Khadka, D. B.; Shirai, Y.; Yanagida, M.; Ryan, J. W.; Miyano, K. Exploring the Effect of Interfacial Transport Layer on Device Performance of Planar Perovskite Solar Cells by Optoelectronic Approach, J. Mater. Chem. C, 2017, 5, 8819-8827.

[7] Khadka, D. B.; Shirai, Y.; Yanagida, M.; Miyano, K. Unravelling the Impacts Induced by Organic and Inorganic Hole Transport Layers in Inverted Halide Perovskite Solar Cells, ACS Appl. Mater. Interfaces, 2019, 11, 7055-7065.

Acknowledgements:

This work was supported by JST-Mirai Program Grant Number JPMJMI21E6, Japan.

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