Self-assembled molecules with hydrogen-bond networks enable efficient all-perovskite tandem solar cells

Deng Wang; Zhixin Liu; Zhi-Wen Gao; Xia Lei; Peide Zhu; Jie Zeng; Qian Li; Lida Wang; Zhen Zhang; Meng Gu; Siru He; Yuqi Bao; Qing Lian; Jingbai Li; Zonglong Song; Yintai Xu; Dangyuan Lei; Xingzhu Wang; Alex K. -Y. Jen; Baomin Xu

doi:10.1038/s41560-026-01964-4

Self-assembled molecules with hydrogen-bond networks enable efficient all-perovskite tandem solar cells

Deng Wang (Co-first Author), Zhixin Liu (Co-first Author), Zhi-Wen Gao (Co-first Author), Xia Lei (Co-first Author), Peide Zhu (Co-first Author), Jie Zeng (Co-first Author), Qian Li, Lida Wang, Zhen Zhang, Meng Gu, Siru He, Yuqi Bao, Qing Lian, Jingbai Li, Zonglong Song, Yintai Xu, Dangyuan Lei, Xingzhu Wang^*, Alex K. -Y. Jen^*, Baomin Xu^*

^*Corresponding author for this work

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

Abstract

Hole-selective self-assembled monolayers have advanced the performance of perovskite solar cells (PSCs), yet their excessive intermolecular interactions result in undesirable self-aggregation and weak interfacial contact. Here we devise a bicarbazole-based dimeric structure incorporating amide units as dual hydrogen-bond donors and acceptors to enable the formation of hydrogen-bonding networks within the molecules and with transparent conductive oxide. This design promotes homogeneous molecular arrangement and well-aligned energy levels, minimizing hole-transport loss and enhancing interfacial stability. We achieve an efficiency of 21.56% in a 1.77 eV PSC, with an open-circuit voltage of 1.35 V and a fill factor of 85.76%. This strategy is also applicable to 1.56 eV PSCs, affording efficiencies of 26.80% (certified 26.57% by current density–voltage (J–V) scan and 25.92% steady-state measured over 300 s). Most notably, the integrated all-perovskite tandem solar cell yields an efficiency of 30.19% (certified 29.38% by J–V scan and 28.40% steady state measured over 120 s).

© The Author(s), under exclusive licence to Springer Nature Limited 2026, modified publication 2026

Original language	English
Pages (from-to)	436-448
Number of pages	15
Journal	Nature Energy
Volume	11
Issue number	3
Online published	4 Feb 2026
DOIs	https://doi.org/10.1038/s41560-026-01964-4
Publication status	Published - Mar 2026

Funding

This work was financially supported by the National Key Research and Development Project from the Ministry of Science and Technology of China (grant no. 2021YFB3800101), the Guangdong Basic and Applied Basic Research Foundation (grant nos. 2023B1515120031 and 2022A1515110413), the Shenzhen Science and Technology Innovation Committee (grant nos. JCYJ20220818100211025, SGDX20230116091649013 and KCXST20221021111616039), the National Natural Science Foundation of China (grant no. 224B2904), SUSTech Energy Institute for Carbon Neutrality (high level of special funds) (grant no. G03034K001) and the Project for Building a Science and Technology Innovation Center Facing South Asia and Southeast Asia (grant no. 202403AP140015). We also acknowledge the technical support from SUSTech Core Research Facilities and the Center for Computational Science and Engineering at SUSTech and the support of the BL14B1 beamline at the Shanghai Synchrotron Radiation Facility (SSRF) for facilitating GIWAXS and in situ GIWAXS measurements.

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This output contributes to the following UN Sustainable Development Goals (SDGs)

SDG 7 Affordable and Clean Energy

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Wang, D., Liu, Z., Gao, Z.-W., Lei, X., Zhu, P., Zeng, J., Li, Q., Wang, L., Zhang, Z., Gu, M., He, S., Bao, Y., Lian, Q., Li, J., Song, Z., Xu, Y., Lei, D., Wang, X., Jen, A. K. .-Y., & Xu, B. (2026). Self-assembled molecules with hydrogen-bond networks enable efficient all-perovskite tandem solar cells. Nature Energy, 11(3), 436-448. https://doi.org/10.1038/s41560-026-01964-4

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abstract = "Hole-selective self-assembled monolayers have advanced the performance of perovskite solar cells (PSCs), yet their excessive intermolecular interactions result in undesirable self-aggregation and weak interfacial contact. Here we devise a bicarbazole-based dimeric structure incorporating amide units as dual hydrogen-bond donors and acceptors to enable the formation of hydrogen-bonding networks within the molecules and with transparent conductive oxide. This design promotes homogeneous molecular arrangement and well-aligned energy levels, minimizing hole-transport loss and enhancing interfacial stability. We achieve an efficiency of 21.56% in a 1.77 eV PSC, with an open-circuit voltage of 1.35 V and a fill factor of 85.76%. This strategy is also applicable to 1.56 eV PSCs, affording efficiencies of 26.80% (certified 26.57% by current density–voltage (J–V) scan and 25.92% steady-state measured over 300 s). Most notably, the integrated all-perovskite tandem solar cell yields an efficiency of 30.19% (certified 29.38% by J–V scan and 28.40% steady state measured over 120 s).{\textcopyright} The Author(s), under exclusive licence to Springer Nature Limited 2026, modified publication 2026 ",

author = "Deng Wang and Zhixin Liu and Zhi-Wen Gao and Xia Lei and Peide Zhu and Jie Zeng and Qian Li and Lida Wang and Zhen Zhang and Meng Gu and Siru He and Yuqi Bao and Qing Lian and Jingbai Li and Zonglong Song and Yintai Xu and Dangyuan Lei and Xingzhu Wang and Jen, {Alex K. -Y.} and Baomin Xu",

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Self-assembled molecules with hydrogen-bond networks enable efficient all-perovskite tandem solar cells. / Wang, Deng (Co-first Author); Liu, Zhixin (Co-first Author); Gao, Zhi-Wen (Co-first Author) et al.
In: Nature Energy, Vol. 11, No. 3, 03.2026, p. 436-448.

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

TY - JOUR

T1 - Self-assembled molecules with hydrogen-bond networks enable efficient all-perovskite tandem solar cells

AU - Wang, Deng

AU - Liu, Zhixin

AU - Gao, Zhi-Wen

AU - Lei, Xia

AU - Zhu, Peide

AU - Zeng, Jie

AU - Li, Qian

AU - Wang, Lida

AU - Zhang, Zhen

AU - Gu, Meng

AU - He, Siru

AU - Bao, Yuqi

AU - Lian, Qing

AU - Li, Jingbai

AU - Song, Zonglong

AU - Xu, Yintai

AU - Lei, Dangyuan

AU - Wang, Xingzhu

AU - Jen, Alex K. -Y.

AU - Xu, Baomin

PY - 2026/3

Y1 - 2026/3

N2 - Hole-selective self-assembled monolayers have advanced the performance of perovskite solar cells (PSCs), yet their excessive intermolecular interactions result in undesirable self-aggregation and weak interfacial contact. Here we devise a bicarbazole-based dimeric structure incorporating amide units as dual hydrogen-bond donors and acceptors to enable the formation of hydrogen-bonding networks within the molecules and with transparent conductive oxide. This design promotes homogeneous molecular arrangement and well-aligned energy levels, minimizing hole-transport loss and enhancing interfacial stability. We achieve an efficiency of 21.56% in a 1.77 eV PSC, with an open-circuit voltage of 1.35 V and a fill factor of 85.76%. This strategy is also applicable to 1.56 eV PSCs, affording efficiencies of 26.80% (certified 26.57% by current density–voltage (J–V) scan and 25.92% steady-state measured over 300 s). Most notably, the integrated all-perovskite tandem solar cell yields an efficiency of 30.19% (certified 29.38% by J–V scan and 28.40% steady state measured over 120 s).© The Author(s), under exclusive licence to Springer Nature Limited 2026, modified publication 2026

AB - Hole-selective self-assembled monolayers have advanced the performance of perovskite solar cells (PSCs), yet their excessive intermolecular interactions result in undesirable self-aggregation and weak interfacial contact. Here we devise a bicarbazole-based dimeric structure incorporating amide units as dual hydrogen-bond donors and acceptors to enable the formation of hydrogen-bonding networks within the molecules and with transparent conductive oxide. This design promotes homogeneous molecular arrangement and well-aligned energy levels, minimizing hole-transport loss and enhancing interfacial stability. We achieve an efficiency of 21.56% in a 1.77 eV PSC, with an open-circuit voltage of 1.35 V and a fill factor of 85.76%. This strategy is also applicable to 1.56 eV PSCs, affording efficiencies of 26.80% (certified 26.57% by current density–voltage (J–V) scan and 25.92% steady-state measured over 300 s). Most notably, the integrated all-perovskite tandem solar cell yields an efficiency of 30.19% (certified 29.38% by J–V scan and 28.40% steady state measured over 120 s).© The Author(s), under exclusive licence to Springer Nature Limited 2026, modified publication 2026

UR - https://www.webofscience.com/wos/woscc/full-record/WOS:001679815300001

U2 - 10.1038/s41560-026-01964-4

DO - 10.1038/s41560-026-01964-4

M3 - RGC 21 - Publication in refereed journal

SN - 2058-7546

VL - 11

SP - 436

EP - 448

JO - Nature Energy

JF - Nature Energy

IS - 3

ER -

Self-assembled molecules with hydrogen-bond networks enable efficient all-perovskite tandem solar cells

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Publisher Correction: Self-assembled molecules with hydrogen-bond networks enable efficient all-perovskite tandem solar cells

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