Date/Time
Date(s) - 07/11/2024
1:30 pm - 2:20 pm

Title: Investigation for Thermoelectric Materials using Zintl Phases: A Chemist’s View of Crystal Structure and Bonding

Date: Thursday November 7, 2024

Time: 1:30-2:20pm

Room: ABB 165

Host: Dr. Yurij Mozharivskyj

Abstract: 

Thermoelectric (TE) materials are considered one of the smartest energy recovery solutions to decrease global energy consumption issues since these materials can directly convert wasted heat produced by various heat sources into electricity. Among the various candidates for TE application, Zintl phase compounds are relatively novel for this field and less explored. In general, the Zintl phase contains rather complex crystal structures producing low thermal conductivity and doped-semiconducting behaviors generating high electrical transport properties, both of which are required for efficient TE materials. Therefore, there have been worldwide research activities to further understand and exploit various Zintl phase compounds as energy conversion materials based on their intrinsic properties. In this presentation, I will talk about our recent research progress for several Zintl phases from the chemist’s viewpoint, which can be considered as potential thermoelectric material applications. These compounds include the A₅M₂Pn₆ (A = Ca, Sr, Eu, Yb; M = Al, Ga, In; Pn = As, Sb, Bi) system, the A₁₁M₁₀ (A = alkali/alkaline-earth/rare-earth-metals; M = tetrels, pnictogens) system, and the AM₂Sb₂ (A = Ba, Sr; M = Zn, Cd) system. Comprehensive crystal structure studies including atomic site-preference and phase-transition, a series of DFT calculations including DOS, band structure, and ELF analysis, and various physical property measurements will be thoroughly discussed during this presentation.

References

1. Chem. Mater. 2023, 35, 3985-3997
2. Chem. Mater. 2022, 34, 9903-9914
3. Chem. Mater. 2021, 33, 6761-6773
4. Chem. Mater. 2017, 29, 1384-1395