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 d...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 In4.xNixSe3 （x = 0-0.1）. Based on density functional theory calculation, Ni tends to substitute at the In3 site in the In4Se3, which causes a monotonous unit cell volume reduction. At x=0.01, Ni substitution results in a sharp decrease in the carder concentration （he） in comparison with that of pure In4Se3, and then ne increases with the increase of Ni concentration. Ni substitution leads to a performance enhancement from 0.6 for pure In4Se3 to an optimum ZTvalue of 0.8 at 450℃.展开更多
基金supported by National Natural Science Foundation of China(21233009,21225104,91422303,21171168 and 21301175)
文摘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 In4.xNixSe3 （x = 0-0.1）. Based on density functional theory calculation, Ni tends to substitute at the In3 site in the In4Se3, which causes a monotonous unit cell volume reduction. At x=0.01, Ni substitution results in a sharp decrease in the carder concentration （he） in comparison with that of pure In4Se3, and then ne increases with the increase of Ni concentration. Ni substitution leads to a performance enhancement from 0.6 for pure In4Se3 to an optimum ZTvalue of 0.8 at 450℃.
