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Thermoelectric(TE) materials can convert directly low-grade heat energy to electricity,and vice versa,which is highly expected to play an important role in the future energy management.The application practice demands efficient TE materials made of non-toxic and inexpensive components.Herein,we report a Ni substituted polycrystalline n-type bulk material In_(4_x)Ni_xSe_3(x = 0 ~ 0.1).Based on density functional theory calculation,Ni tends to substitute at the In3 site in the In_4Se_3,which causes a monotonous unit cell volume reduction.At x = 0.01,Ni substitution results in a sharp decrease in the carrier concentration(n_e) in comparison with that of pure In_4Se_3,and then n_e increases with the increase of Ni concentration.Ni substitution leads to a performance enhancement from 0.6 for pure In_4Se_3 to an optimum ZT value of 0.8 at 450 ℃.
Thermoelectric (TE) materials can be directly converted to low-grade heat energy to electricity, and vice versa, which is highly expected to play an important role in the future energy management. The application practice demands efficient TE materials made of non-toxic and inexpensive components . Herein, we report a Ni substituted polycrystalline n-type bulk material In_ (4_x) Ni_xSe_3 (x = 0~0.1). Based on density functional theory calculation, Ni tends to substitute at the In3 site in the In_4Se_3, which causes a monotonous unit cell volume reduction. At x = 0.01, Ni substitution results in a sharp decrease in the carrier concentration (n_e) in comparison with that of pure In_4Se_3, and then n_e increases with the increase of Ni concentration. Ni substitution leads to a performance enhancement from 0.6 for pure In_4Se_3 to an optimum ZT value of 0.8 at 450 ° C.