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<p>N-type Bi<sub>2</sub>O<sub>2</sub>Se-based oxychalcogenide has shown strong potential for lead-free mid-temperature thermoelectric applications, primarily owing to its intrinsically low thermal conductivity. However, its thermoelectric performance is substantially enhanced by addressing the limitation of its inherently low carrier concentration (~10<sup>15</sup> cm<sup>-3</sup>). In this work, incorporating iodine into the Bi<sub>2</sub>O<sub>2</sub>Se system enables significantly tuning the carrier concentration and electrical conductivity. Combined with a moderate Seebeck coefficient, an optimized power factor of 4.72 µW/cm K<sup>2</sup> is obtained at 773 K. Simultaneously, the lattice strain induced by localized lattice dislocations and distortions noticeably scatters the heat-carrying phonons, contributing to suppressing the lattice thermal conductivity. Consequently, these electronic and thermal effects contribute to a peak <i>ZT</i> value of 0.38 at 773 K for Bi<sub>2</sub>O<sub>2</sub>Se<sub>0.997</sub>I<sub>0.003</sub>, reflecting a 23% improvement over pristine Bi<sub>2</sub>O<sub>2</sub>Se. This study offers a framework for the strategic design of effective dopants and manipulating the induced lattice strain to enhance the performance of thermoelectric materials.</p>

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Fine-tuning thermoelectric performance in n-type Bi2O2Se through iodine doping

  • 期刊论文

  • 发表日期：

    2026年3月23日

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  • Suniya Siddique,
  • Jian Zhao,
  • Rui-Hua Chen,
  • Hua-Jing Zhang,
  • Zu-Hao Wen,
  • Yue-Xing Chen,
  • Zhuang-Hao Zheng,
  • Fu Li

摘要

N-type Bi2O2Se-based oxychalcogenide has shown strong potential for lead-free mid-temperature thermoelectric applications, primarily owing to its intrinsically low thermal conductivity. However, its thermoelectric performance is substantially enhanced by addressing the limitation of its inherently low carrier concentration (~1015 cm-3). In this work, incorporating iodine into the Bi2O2Se system enables significantly tuning the carrier concentration and electrical conductivity. Combined with a moderate Seebeck coefficient, an optimized power factor of 4.72 µW/cm K2 is obtained at 773 K. Simultaneously, the lattice strain induced by localized lattice dislocations and distortions noticeably scatters the heat-carrying phonons, contributing to suppressing the lattice thermal conductivity. Consequently, these electronic and thermal effects contribute to a peak ZT value of 0.38 at 773 K for Bi2O2Se0.997I0.003, reflecting a 23% improvement over pristine Bi2O2Se. This study offers a framework for the strategic design of effective dopants and manipulating the induced lattice strain to enhance the performance of thermoelectric materials.