Improvement of thermoelectric and mechanical properties in Bi2Se3 through indium doping
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.