Enhanced thermoelectric performance in Cl-doped BiSbSe3 with optimal carrier concentration and effective mass

doi:10.1016/j.jmst.2020.09.005

Abstract

Abstract:

Possessing inherently low thermal conductivity, BiSbSe₃ is a promising thermoelectric material for medium temperature. Therefore, to substantially optimize the thermoelectric performance of BiSbSe₃, researchers mainly focus on the strategies to improve its electrical transport properties. Among these strongly coupled thermoelectric parameters, carrier concentration and effective mass are two intrinsic variables to decisively affect the electrical transport properties. In this work, Cl as a donor dopant is effective to provide extra electrons in n-type BiSbSe₃, and the carrier concentration and effective mass can be well optimized simultaneously with increasing Cl content owing to the multiple conduction bands in BiSbSe₃. What’s more, maximum weighted mobility ~53 cm ² V ^-1 s ^-1 is obtained in Cl-doped BiSbSe₃, which contributes to a largely enhanced power factor ~4.8 μW cm ^-1 K ^-2 at room temperature and outperforms other halogen-doped BiSbSe₃ samples. Finally, combining the significantly enhanced power factor and maintained low thermal conductivity, a maximum ZT~1.0 is achieved in Cl-doped BiSbSe₃ at 800 K.

Key words: BiSbSe₃, Thermoelectric performance, Effective mass, Carrier concentration

Sining Wang, Lizhong Su, Yuting Qiu, Yu Xiao, Li-Dong Zhao. Enhanced thermoelectric performance in Cl-doped BiSbSe₃ with optimal carrier concentration and effective mass[J]. J. Mater. Sci. Technol., 2021, 70: 67-72.

Figures/Tables 5

Table 1 Room-temperature Hall carrier concentration (nH), Hall carrier mobility (μH), effective mass (m*), the maximum power factor (PFmax), and density (ρ) for BiSb(Se1-xClx)3.

BiSb(Se_1-_xCl_x)₃	n_H	μ_H	m*	PF_max	ρ
	(10¹⁹ cm^-3)	(cm² V^-1 s^-1)	(m₀)	(μW cm^-1 K^-2)	(g cm^-3)
x=0	0.0491	18.35	0.96	1.21	6.53
x=0.005	4.97	10.05	1.61	3.19	6.46
x=0.010	5.68	11.90	1.53	3.99	6.75
x=0.015	9.58	13.36	1.84	5.75	6.65
x=0.020	13.4	7.17	2.08	4.56	6.60

Fig. 1. Phase identification of BiSb(Se1-xClx)3: (a) powder X-ray diffraction patterns and (b) unit cell volumes and lattice parameters as a function of Cl doping content.

Fig. 2. Electrical transport properties in BiSb(Se1-xClx)3: (a) electrical conductivity; (b) Seebeck coefficient; (c) power factor; (d) Hall carrier concentration and mobility as a function of Cl content; (e) calculated Pisarenko lines with single parabolic band model at room temperature; (f) temperature-dependent weighted mobilities.

Fig. 3. Comparison of the room-temperature electrical transport properties in halogen-doped BiSb(Se1-xHx)3: (a) the relationship between Hall carrier concentration and effective mass; (b) Hall carrier mobility; (c) weighted mobility, the inset presents the power factor; (d) peak power factor and ZT for BiSb(Se0.98I0.02)3 [44], BiSb(Se0.92Br0.08)3 [37], and BiSb(Se0.985Cl0.015)3 in this work.

Fig. 4. The temperature-dependent thermoelectric transport properties for BiSb(Se1-xClx)3: (a) total thermal conductivity; (b) the lattice thermal conductivity; (c) the calculated quality factor B at 300 K, 550 K and 800 K; (d) ZT values.

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Enhanced thermoelectric performance in Cl-doped BiSbSe₃ with optimal carrier concentration and effective mass

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