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Multifunctional Buried Molecule-Bridge for High-Performance Inverted Perovskite Solar Cells

  • Mingyang Gao
  • , Zeping Ou
  • , Can Wang
  • , Lei Liu
  • , Dingqin Hu
  • , Wei Wan
  • , Peidong Chen
  • , Yi Pan
  • , Shisong Nie
  • , Yuanyi Luo
  • , Pengyan Zhang
  • , Deyong Peng
  • , Ke Zhao
  • , Meirong Fu
  • , Wei Liu
  • , Xia Wang
  • , Wei Zhang
  • , Haoxuan Guo
  • , Yujie Zheng
  • , Zeyun Xiao
  • Xingyu Gao, Zhu Ma, Rui Wang, Tingming Jiang*, Kuan Sun*
*Corresponding author for this work

Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review

Abstract

Carbazole-based self-assembled monolayers (SAMs) as an effective hole transportation layer have tremendously advanced the power conversion efficiency (PCE) of inverted perovskite solar cells (PSCs). However, the inhomogeneous distribution of SAMs on substrate and non-intimate interface contact can bring about significant interfacial energy loss at SAM/perovskite heterojunction. Herein, a small molecule 4-Bromobenzylphosphnic acid (4Br-BPA) is constructed as a molecule bridge connecting [4-(3,6-dimethyl-9H-carbazol-9-yl) butyl] phosphonic acid (Me-4PACz) and perovskite, exhibiting multifunctionality on improving the interfacial characteristics. First, the small-size 4Br-BPA molecules can partly fill some voids on NiOx/Me-4PACz anchored with NiOx via phosphonic acid group, meanwhile ameliorating the NiOx surface state. Second, the 4Br-BPA post-deposited onto Me-4PACz interacting with Me-4PACz via pi-pi stacking has suppressed charge accumulation at interface, aligned the energy level of NiOx/Me-4PACz consequently promoting the hole transportation. Third, the interplay between 4Br-BPA and perovskite enables effective passivation of interfacial traps, and the substrate NiOx/Me-4PACz/4Br-BPA with improved wettability has facilitated the perovskite film growth with enhanced crystallization and released residual stress. Consequently, all these benefits have been transformed to an impressive PCE of 26.59% (certified 26.12%). The device based on 4Br-BPA also demonstrates much improved operational stability, maintaining approximate to 90% of initial efficiency under 1400 h continuous one-sun illumination. © 2025 Wiley-VCH GmbH
Original languageEnglish
Article numbere14273
JournalAdvanced Materials
DOIs
Publication statusOnline published - 17 Sept 2025

Funding

The authors want to acknowledge the financial support received from National Key Research and Development Program of China (2022YFB3803300), Innovative Research Group Project of National Natural Science Foundation of China (52021004), National Natural Science Foundation of China (62474026, W2433159, 62305341), Chongqing Technology Innovation and Application Development Special Project (CSTB2024TIAD-KPX0091), Venture & Innovation Support Program for Chongqing Overseas Returnees (CX2023009), Shandong Provincial Natural Science Foundation (No. ZR2021QE035). The authors would also thank beamline BL03HB at Shanghai Synchrotron Radiation Facility (SSRF) for providing the beam time.

UN SDGs

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

  1. SDG 7 - Affordable and Clean Energy
    SDG 7 Affordable and Clean Energy

Research Keywords

  • buried interface
  • interfacial passivation
  • multifunctional molecular-bridge
  • perovskite solar cells
  • self-assembled monolayers

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