Zintl phases: From curiosities to impactful materials

SM Kauzlarich - Chemistry of Materials, 2023‏ - ACS Publications
The synthesis of new compounds and crystal structures remains an important research
endeavor in pursuing technologically relevant materials. The Zintl concept is a guidepost for …

Engineering half-Heusler thermoelectric materials using Zintl chemistry

WG Zeier, J Schmitt, G Hautier, U Aydemir… - Nature Reviews …, 2016‏ - nature.com
Half-Heusler compounds based on XNiSn and XCoSb (X= Ti, Zr or Hf) have rapidly become
important thermoelectric materials for converting waste heat into electricity. In this Review …

High-throughput screening of rattling-induced ultralow lattice thermal conductivity in semiconductors

J Li, W Hu, J Yang - Journal of the American Chemical Society, 2022‏ - ACS Publications
Thermoelectric (TE) materials with rattling model show ultralow lattice thermal conductivity
for high-efficient energy conversion between heat and electricity. In this work, by analysis of …

Nomenclature of the perovskite supergroup: A hierarchical system of classification based on crystal structure and composition

RH Mitchell, MD Welch… - Mineralogical …, 2017‏ - cambridge.org
On the basis of extensive studies of synthetic perovskite-structured compounds it is possible
to derive a hierarchy of hettotype structures which are derivatives of the arisotypic cubic …

A valence balanced rule for discovery of 18-electron half-Heuslers with defects

S Anand, K ** strategies for modulation of transport properties in thermoelectric materials
Q ** is a key method employed in semiconductor technology for tuning the carrier‐
density‐dependent electrical properties. In thermoelectric materials, which are typically …

Characterization of rattling in relation to thermal conductivity: Ordered half-Heusler semiconductors

Z Feng, Y Fu, Y Zhang, DJ Singh - Physical Review B, 2020‏ - APS
The factors that affect the thermal conductivity of semiconductors is a topic of great scientific
interest, especially in relation to thermoelectrics. Key developments have been the concept …

Investigation of Mn Single and Co-Do** in Thermoelectric CoSb3-Skutterudite: A Way Toward a Beneficial Composite Effect

C Bourgès, W Zhang, KK Raut, Y Owada… - ACS Applied Energy …, 2023‏ - ACS Publications
We report here the first in-depth theoretical and experimental investigations of Mn
substitution within the CoSb3-skutterudite. A systematic and comprehensive approach was …

Enhanced thermoelectric performance of Yb-single-filled skutterudite by ultralow thermal conductivity

W Li, J Wang, Y **e, JL Gray, JJ Heremans… - Chemistry of …, 2019‏ - ACS Publications
The filling fraction limitation (FFL) in n-type CoSb3 skutterudites is far below that of p-type
(Fe, Co) Sb3-based skutterudites, and it is critical to increase FFL for accomplishing high …

Thermoelectric properties and low thermal conductivity of Zintl compound Yb 10 MnSb 9

L Borgsmiller, GJ Snyder - Journal of Materials Chemistry A, 2022‏ - pubs.rsc.org
The recently discovered Zintl compound Yb10MnSb9 is a thermoelectric material very close
in compositional space to high performing thermoelectric materials such as Yb14MnSb11 …