Research progress on thermoelectric conversion technology of Ningbo Institute of Materials

Research progress on thermoelectric conversion technology of Ningbo Institute of Materials

As a clean energy technology, the thermoelectric conversion technology has attracted much attention internationally, and it is expected to provide a comprehensive and coordinated solution for increasing the utilization rate of energy and alleviating environmental pollution. The conversion efficiency of thermoelectric materials is characterized by a dimensionless thermoelectric figure of merit ZT (=S2σT/κ), where S and σ are the Seebeck coefficients and conductivity of the material, S2σ is called the power factor, T is the absolute temperature, and κ is the thermal conductivity Rate, including electronic thermal conductivity and lattice thermal conductivity. Obtaining a high thermoelectric value can be achieved by increasing the Seebeck coefficient and the electrical conductivity and lowering the thermal conductivity.

In recent years, copper-based diamond-like structure compounds have attracted attention in the field of thermoelectric research because of their low lattice thermal conductivity. Lattice thermal conductivity is determined by phonon heat capacity, phonon group velocity, and phonon lifetime. Cu2GeSe3 has a tetra-coordinated bonding structure similar to that of Ge, and they have a similar heat capacity, whereas Cu2GeSe3 has a room-temperature thermal conductivity of only 2.4 W/mK. In previous experimental studies, it was speculated that atomic vibrations in Cu2GeSe3 are highly asymmetric, resulting in such low thermal conductivity.

The Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences has recently studied the lattice kinetics and thermal properties of Cu2GeSe3 using first-principles calculations. The calculated phonon spectra, heat capacity, and thermal conductivity are in agreement with the experiments. They also calculated the Green's Eisen constant of the atomic vibrational non-harmonicity in Cu2GeSe3 and found that it is much lower than previously estimated. They believe that strong anti-harmonicity is not sufficient to explain its low thermal conductivity, and further analysis of its vibration characteristics was found to determine The low-frequency vibration of thermal conductivity mainly comes from the contribution of Cu and Se vibrations. The researchers explored the source of low thermal conductivity of Cu2GeSe3 from the bond characteristics, revealing the physical mechanism of the low thermal conductivity of Cu-Se due to its weak covalent bond. The results were published in the European Physical Letters (EPL 109, 47004 (2015)).

The research work was supported by the National Natural Science Foundation of China (11234012, 11404348, 11404350), the China Postdoctoral Research Fund (2014M561796), Zhejiang Provincial Postdoctoral Scientific Research Project (BSH1402080), the Ningbo Natural Science Foundation (2014A610008), and the Ningbo Science and Technology Innovation Team ( 2014B82004) support.

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