[PDF] High throughput screening of stability and thermoelectric properties - Anciens Et Réunions

Can high-performance bulk thermoelectric materials be characterized by HTP screening?

High-throughput (HTP) experiments play key roles in accelerating the discovery of advanced materials, but the HTP preparation and characterization, especially for bulk samples, are extremely difficult. In this work, we developed a novel and general strategy for HTP screening of high-performance bulk thermoelectric materials.

How to screen potential N-type or p-type semiconductors from the material database?

In this work, based on the relationship between the formation energy of charged defect and the Fermi level, we propose a simple and low-cost strategy for high-throughput screening the potential n-type or p-type semiconductors from the material database by using energy positions of band edges as indicators.

How are Heusler alloys screened for room temperature active cooling?

In this work, based on the MatHub-3d database 32, 33, the Heusler alloys are systematically screened for room temperature active cooling in a high-throughput (HTP) manner.

What is a good working temperature for a thermoelectric semiconductor?

Most of the thermoelectric semiconductors with large PF s, on the other hand, have the best working temperature range far above 300?K 13, 14, 15, 16, 17, which is not applicable to the desired working temperature of active cooling.