Ultralow lattice thermal conductivity and improved thermoelectric performance in a Hf-free half-Heusler compound modulated by entropy engineering

Abstract

A great improvement in the thermoelectric and mechanical properties of a TiNiSn-based compound has been achieved by entropy engineering.

High-entropy materials for thermoelectric applications: towards performance and reliability

“…As a result, ZT has risen from 0.67 for TiNiSn to B1.4 for Ti 0.57 Zr 0.4 Al 0.02 -Ta 0.01 NiSn 0.98 Sb 0.02 at 870 K, resulting in an increase of almost 108% that was accomplished through entropy engineering. 175 This constitutes a record for this class of HE-HH TEMs. Rahman et al have investigated the TE properties of a novel class of Sb-based HEAs.…”

Stepwise Alloying in Liquid-like Solid Solutions to Achieve Crystallographic Distortion for Regulating Thermoelectric Transport Behavior

“…28 Furthermore, it can be observed that the intensity of the diffraction peak belonging to the (111) plane of C9 was weaker than that of the C7 sample, which indicates that there were many lattice distortion and resultant strain fields in the C9 sample. 29 Based on the classical Williamson−Hall method, the total peak broadening was obtained by considering the variation in crystal size and the internal strain. Collectively, the observed phase separation and dense dislocations (Figure 5) generated by the crystallographic distortion could lead to the broadening of the diffraction peaks (Figure 1).…”

“…In addition, the nonuniformity microstrain deriving from the dislocations or interfaces equally led to the increase of the fwhm . Furthermore, it can be observed that the intensity of the diffraction peak belonging to the (111) plane of C9 was weaker than that of the C7 sample, which indicates that there were many lattice distortion and resultant strain fields in the C9 sample . Based on the classical Williamson–Hall method, the total peak broadening was obtained by considering the variation in crystal size and the internal strain.…”

High-throughput computational discovery of 3218 ultralow thermal conductivity and dynamically stable materials by dual machine learning models

“…216), 82 half-Heuslers (ABC type with space group no. 216), 83 quaternary Heuslers (ABCD type with space group no. 216), 84 single perovskites (ABC 3 type with space group no.…”