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<p>Two-dimensional MXene Ti<sub>3</sub>C<sub>2</sub>T<sub><i>x</i></sub> demonstrates great promise in perovskite solar cells (PSCs). Herein, sulfur-terminated Ti<sub>3</sub>C<sub>2</sub>T<sub><i>x</i></sub> (S-Ti<sub>3</sub>C<sub>2</sub>T<sub><i>x</i></sub>) is developed by modifying Ti<sub>3</sub>C<sub>2</sub>T<sub><i>x</i></sub> via a facile hydrothermal method using thioacetamide. As a perovskite additive, S-Ti<sub>3</sub>C<sub>2</sub>T<sub><i>x</i></sub> outperforms pristine Ti<sub>3</sub>C<sub>2</sub>T<sub><i>x</i></sub> by (1) significantly promoting grain growth, enhancing carrier mobility, and reducing defect density; (2) optimizing energy level alignment to lower interfacial energy barriers and minimize interface non-radiative recombination; (3) stabilizing uncoordinated Pb<sup>2+</sup> and [PbI<sub>6</sub>]<sup>4−</sup> octahedra via Pb–S bonds while alleviating bulk lattice strain, as this Pb–S interaction exerts a “tape-like” effect. Based on this synergistic mechanism, PSCs with S-Ti<sub>3</sub>C<sub>2</sub>T<sub><i>x</i></sub> achieve a champion efficiency of 25.51%—outperforming control (23.46%) and pristine Ti<sub>3</sub>C<sub>2</sub>T<sub><i>x</i></sub>-based devices (24.54%)—with enhanced stability. This work highlights terminal group engineering as a critical strategy for advancing high-performance PSCs and their potential for emerging photovoltaic technologies.</p>

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Synergistic additive engineering with sulfur-terminated Ti3C2Tx MXene towards efficient and stable perovskite solar cells

  • 期刊论文

  • 发表日期：

    2026年1月6日

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  • Zhe Wu,
  • Hui Li,
  • Yuhang Bao,
  • Jizheng Wang

摘要

Two-dimensional MXene Ti3C2Tx demonstrates great promise in perovskite solar cells (PSCs). Herein, sulfur-terminated Ti3C2Tx (S-Ti3C2Tx) is developed by modifying Ti3C2Tx via a facile hydrothermal method using thioacetamide. As a perovskite additive, S-Ti3C2Tx outperforms pristine Ti3C2Tx by (1) significantly promoting grain growth, enhancing carrier mobility, and reducing defect density; (2) optimizing energy level alignment to lower interfacial energy barriers and minimize interface non-radiative recombination; (3) stabilizing uncoordinated Pb2+ and [PbI6]4− octahedra via Pb–S bonds while alleviating bulk lattice strain, as this Pb–S interaction exerts a “tape-like” effect. Based on this synergistic mechanism, PSCs with S-Ti3C2Tx achieve a champion efficiency of 25.51%—outperforming control (23.46%) and pristine Ti3C2Tx-based devices (24.54%)—with enhanced stability. This work highlights terminal group engineering as a critical strategy for advancing high-performance PSCs and their potential for emerging photovoltaic technologies.