Fracture toughness of thermoelectric materials

G Li, Q An, B Duan, L Borgsmiller, M Al Malki… - Materials Science and …, 2021 - Elsevier
The engineering applications of thermoelectric (TE) devices require TE materials
possessing high TE performance and robust mechanical properties. Research on thermal …

Crystallographic design for half-Heuslers with low lattice thermal conductivity

W Ren, X Shi, Z Wang, Z Ren - Materials Today Physics, 2022 - Elsevier
Exploring novel materials with intrinsically low lattice thermal conductivity (κ L) is an effective
way to advance thermoelectrics. Half-Heuslers (HHs) are known for their large …

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

S Anand, K Xia, VI Hegde, U Aydemir… - Energy & …, 2018 - pubs.rsc.org
Using first-principles DFT we systematically investigate the thermodynamic stability and off-
stoichiometry in 108 nominal 19-electron half-Heusler (hH) compounds. We demonstrate …

Prediction of improved thermoelectric performance by ordering in double half-Heusler materials

S Guo, Z Liu, Z Feng, T Jia, S Anand… - Journal of Materials …, 2020 - pubs.rsc.org
Many cobalt (Co)-based 18-electron half-Heusler compounds usually exhibit good
thermoelectric properties. Due to the increasing scarcity of Co, replacing Co with Fe and Ni …

Thermoelectric transport of semiconductor full-Heusler VFe 2 Al

S Anand, R Gurunathan, T Soldi… - Journal of Materials …, 2020 - pubs.rsc.org
The full-Heusler VFe2Al has emerged as an important thermoelectric material in its thin film
and bulk phases. VFe2Al is attractive for use as a thermoelectric materials because of it …

Temperature dependent n‐type self doping in nominally 19‐electron half‐Heusler thermoelectric materials

S Anand, K Xia, T Zhu, C Wolverton… - Advanced Energy …, 2018 - Wiley Online Library
The discovery of a semiconducting ground state XyYZ (y= 0.8 or 0.75) in nominally 19‐
electron half‐Heusler materials warrants a closer look at their apparently metallic properties …

Strain induced electronic structure, and magnetic and structural properties in quaternary Heusler alloys ZrRhTiZ (Z= Al, In)

RB Ray, GC Kaphle, RK Rai, DK Yadav… - Journal of Alloys and …, 2021 - Elsevier
Electronic structure, and magnetic and structural properties of quaternary Heusler alloys
ZrRhTiZ (Z= Al, In) have been analyzed from first principles calculations. The ferromagnetic …

Superstrengthening through Nanotwinning

G Li, U Aydemir, SI Morozov, M Wood, Q An, P Zhai… - Physical review …, 2017 - APS
Bismuth telluride (Bi 2 Te 3) based thermoelectric (TE) materials have been commercialized
successfully as solid-state power generators, but their low mechanical strength suggests that …

Ideal strength and deformation mechanism in high-efficiency thermoelectric SnSe

G Li, U Aydemir, M Wood, WA Goddard III… - Chemistry of …, 2017 - ACS Publications
The widespread use of thermoelectric conversion technology requires thermoelectric
materials of high thermoelectric efficiency and high fracture strength. Single crystal SnSe …

Enhanced strength through nanotwinning in the thermoelectric semiconductor InSb

G Li, SI Morozov, Q Zhang, Q An, P Zhai, GJ Snyder - Physical review letters, 2017 - APS
The conversion efficiency (z T) of thermoelectric (TE) materials has been enhanced over the
last two decades, but their engineering applications are hindered by the poor mechanical …