Realizing synergistic optimization of thermoelectric properties in n-type BiSbSe3 polycrystals via co-doping zirconium and halogen. (January 2022)

• Record Type: Journal Article
• Authors: Wang, Sining; Wang, Dongyang; Su, Lizhong; Xiao, Yu; Jin, Yang; Qiu, Yuting; Zhao, Li-Dong
• Is Part Of: Materials today physics. Volume 22(2022)
• Publication Date: 2022-01
• Subjects: Thermoelectric -- BiSbSe3 -- Mobility -- Deformation potential -- Resonant level -- Band convergence; Materials science -- Periodicals; Physics -- Periodicals; Electronic journals; 530.41
• DOI: 10.1016/j.mtphys.2022.100608
• Languages: English
• ISSNs: 2542-5293

Abstract

Abstract: BiSbSe3 is a promising thermoelectric material due to its ultralow thermal conductivity. Here, we demonstrate that it is possible to enhance the thermoelectric performance of n -type BiSbSe3 by co-doping of zirconium and halogen (chlorine or bromine). Doping Zr induces the band convergence and resonant level, acting to enhance the effective mass. Halogen doping at Se site can further optimize the carrier density while maintaining high carrier mobility by reducing deformation potential. Thus, the synergistic optimization of effective mass, carrier density, and carrier mobility is realized in Zr and halogen co-doped BiSbSe3 . After Zr and halogen co-doping, the lattice thermal conductivity is effectively reduced by the increased scattering centers. Consequently, a maximum ZT of ∼0.83 at 800 K and an average ZT of ∼0.48 at 300–800 K are obtained in 3%Zr and 1%Br co-doped BiSbSe3 . Our investigation illustrates a feasible strategy to synergistically optimize the thermoelectric properties in n -type BiSbSe3 polycrystals via co-doping effective elements. Graphical abstract: Image 1 Highlights: The optimization of carrier density, mobility, and effective mass is realized in n -type BiSbSe3 via Zr-halogen co-doping. Zr doping induces the band convergence and resonant level, acting to enhance the effective mass. Halogen doping at Se site optimized the carrier density and maintained carrier mobility by reducing deformation potential. A maximum ZT ∼0.83 at 800 K and a ZT ave of ∼0.48 at 300–800 K are achieved.