New Zintl Phase Yb 10 MgSb 9 with High Thermoelectric Performance

Borgsmiller, Leah; Li, Qingyuan; Toriyama, Michael Y.; Snyder, G. Jeffrey

doi:10.1002/aenm.202300393

New Zintl Phase Yb ₁₀ MgSb ₉ with High Thermoelectric Performance

Journal Article · Fri Apr 07 00:00:00 EDT 2023 · Advanced Energy Materials

DOI:https://doi.org/10.1002/aenm.202300393· OSTI ID:1968936

^[1]; Li, Qingyuan ^[1]; ^[1]; Snyder, G. Jeffrey ^[1]

Northwestern University Department of Materials Science and Engineering Evanston IL 60208 USA

Abstract

Yb ₁₀ MgSb ₉ is a new Zintl compound (with a composition closer to Yb _10.5 MgSb ₉ ) and a promising thermoelectric material first reported in this work. Undoped Yb ₁₀ MgSb ₉ has an ultralow thermal conductivity due to crystallographic complexity and exhibits a relatively high peak p‐type Seebeck coefficient and high electrical resistivity. This is consistent with Zintl counting and density functional theory (DFT) calculations that the composition Yb _10.5 MgSb ₉ should be a semiconductor. Na is found experimentally to be an effective p‐type dopant potentially due to the replacement of Na ⁺ for Yb ²⁺ , allowing for a significant decrease in electrical resistivity. With doping, a dramatic improvement of electrical conductivity is observed and the glass‐like thermal conductivity remains low, allowing for a significant enhancement of the thermoelectric figure of merit, zT . Doping increases the zT from 0.23 in undoped Yb ₁₀ MgSb ₉ to 1.06 in 7 at% Na‐doped Yb ₁₀ MgSb ₉ at 873K. This high thermoelectric performance found through Na‐doping places this material amongst the leading p‐type Zintl thermoelectrics, making it a promising candidate for future studies and high‐temperature thermoelectric applications.

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Sponsoring Organization:: USDOE

Grant/Contract Number:: SC0020347

OSTI ID:: 1968936

Alternate ID(s):: OSTI ID: 2421559
OSTI ID: 1974294

Journal Information:: Advanced Energy Materials, Journal Name: Advanced Energy Materials Journal Issue: 19 Vol. 13; ISSN 1614-6832

Publisher:: Wiley Blackwell (John Wiley & Sons)Copyright Statement

Country of Publication:: Germany

Language:: English

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