Research on Thermoelectric Materials based on Materials Genome Initiative

Xun Shi*, Lidong Chen, Tianran Wei

Shanghai Institute of Ceramics, CAS

ABSTRACT: The development of novel high-performance thermoelectric materials, high efficiency thermoelectric devices and their applications is very important for more efficient use of energy. Different from traditional trial and error method, the Materials Genome Initiative provides a rational and high-throughput method for thermoelectric materials by combining theoretical calculations, experiment and large database. The research on thermoelectric materials based on Materials Genome Initiative can greatly reduce the time and cost. In the past two years, we have achieved a great progress for the development of thermoelectric materials by using Materials Genome Initiative. We have developed high-throughput calculation methods and software to achieve both high calculation speed and accuracy, high-throughput materials synthesis method and measurement techniques, high-throughput screen of novel thermoelectric materials, construction of relationship of the Genome map for thermoelectric properties, optimization of thermoelectric performance, and high efficiency thermoelectric devices and demo system. In this talk, we will briefly introduce the research on Thermoelectric Materials based on Materials Genome Initiative in China. Then we will particularly present our great progress in high-throughput calculations, high-throughput material synthesis, and performance optimization for thermoelectric materials. 

Keywords: thermoelectric materials; Materials Genome Initiative; high-throughput calculations; performance optimization

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