<p>Bi<sub>2</sub>Se<sub>3</sub> is a classic n-type mid-low temperature thermoelectric material limited by high lattice thermal conductivity and poor mechanical properties. Herein, dense Bi<sub>2-x</sub>In<sub>x</sub>Se<sub>3</sub> bulks (x = 0–0.02) were fabricated via melt-compaction and hot pressing. Structural and XPS characterizations verify uniform In substitution without impurity phases, and partial reduction of In<sup>3+</sup> to In<sup>+</sup> driven by intrinsic Se vacancies generates In<sup>+</sup>–V<sub>Se</sub> composite defects. Low In doping introduces isolated Se vacancies to suppress carrier mobility, while moderate doping passivates ionized scattering centers and partially recovers mobility. All In-doped samples exhibit reduced power factor due to the trade-off between conductivity and Seebeck coefficient. Nevertheless, lattice distortion, mass/strain fluctuations, and composite defects drastically scatter phonons and cut lattice thermal conductivity. The optimized Bi<sub>1.985</sub>In<sub>0.015</sub>Se<sub>3</sub> achieves a peak ZT of 0.43 at 573&#xa0;K, 23% higher than pristine Bi<sub>2</sub>Se<sub>3</sub>. Vickers indentation tests confirm enhanced hardness and fracture toughness after In doping, favoring device fabrication and service stability. This work clarifies the dual carrier-phonon modulation mechanism of mixed-valence In doping and offers a defect engineering strategy to simultaneously improve thermoelectric and mechanical performances of Bi<sub>2</sub>Se<sub>3</sub>.</p>

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Improvement of thermoelectric and mechanical properties in Bi2Se3 through indium doping

  • Yuan Zhu,
  • Xinyu Tang,
  • Jian Yang,
  • Shahid Hussain,
  • Rajesh Kumar Manavalan,
  • Mohammed Mujahid Alam,
  • Abdullah G. Al-Sehemi,
  • Guiwu Liu

摘要

Bi2Se3 is a classic n-type mid-low temperature thermoelectric material limited by high lattice thermal conductivity and poor mechanical properties. Herein, dense Bi2-xInxSe3 bulks (x = 0–0.02) were fabricated via melt-compaction and hot pressing. Structural and XPS characterizations verify uniform In substitution without impurity phases, and partial reduction of In3+ to In+ driven by intrinsic Se vacancies generates In+–VSe composite defects. Low In doping introduces isolated Se vacancies to suppress carrier mobility, while moderate doping passivates ionized scattering centers and partially recovers mobility. All In-doped samples exhibit reduced power factor due to the trade-off between conductivity and Seebeck coefficient. Nevertheless, lattice distortion, mass/strain fluctuations, and composite defects drastically scatter phonons and cut lattice thermal conductivity. The optimized Bi1.985In0.015Se3 achieves a peak ZT of 0.43 at 573 K, 23% higher than pristine Bi2Se3. Vickers indentation tests confirm enhanced hardness and fracture toughness after In doping, favoring device fabrication and service stability. This work clarifies the dual carrier-phonon modulation mechanism of mixed-valence In doping and offers a defect engineering strategy to simultaneously improve thermoelectric and mechanical performances of Bi2Se3.