Harnessing the unusually strong improvement of thermoelectric performance of AgInTe₂ with nanostructuring

Abstract

Nanostructuring is a well-established approach to improve the thermoelectric behavior of materials. However, its effectiveness is restricted if excessively small particle sizes are necessary to considerably decrease the lattice thermal...

High-Throughput Prediction of the Thermal and Electronic Transport Properties of Large Physical and Chemical Spaces Accelerated by Machine Learning: Charting the ZT of Binary Skutterudites

“…One of the techniques that has yielded significant improvements is high-pressure torsion, HPT, which introduces many grain boundaries as well as dislocations in the structure, enhancing ZT values up to a factor of 2 for some skutterudites . The methodology used in this study can also take into account the influence of grain boundaries on the electronic and thermal transport properties of materials . We opted to study the three binary skutterudites that exhibit the highest ZT values at 800 K: CoAs 3 , IrSb 3 , and CoSb 3 (Figure ).…”

“…78 The methodology used in this study can also take into account the influence of grain boundaries on the electronic and thermal transport properties of materials. 79 We opted to study the three binary skutterudites that exhibit the highest ZT values at 800 K: CoAs 3 , IrSb 3 , and CoSb 3 (Figure 9). Some differences can be observed in the ZT contour plots of these three skutterudites.…”

Ultralow Glassy Thermal Conductivity and Controllable, Promising Thermoelectric Properties in Crystalline o-CsCu5S3

“…To achieve low thermal conductivity in crystalline solids, various strategies have been proposed, including nanostructuring, atomic rattling, strong lattice anharmonicity, and liquid-like ions . For instance, the presence of rattlers results in a 10-fold reduction in the phonon lifetime by enhancing the scattering phase space in clathrate Ba 8 Ga 16 Ge 30 (BGG) .…”

Breaking AgInTe2 Quantum Dot Chain to Fabricate AgInTe2–ZnS Janus Nanocrystals

“…Here, the excess of Te – ions on Ag-deficient MnCs might play a vital role in the self-assembly process. , Therefore, arresting a QD structure in AgInTe 2 MnCs via controlling the self-assembly behavior is extremely necessary, which may provide important insights into the self-assembly mechanism. Recent computational predictions suggest that the size reduction in the QD regime in AgInTe 2 may have a propitious effect on their thermoelectric properties . Moreover, a heterostructure formation on top of this QD structure may control the long-term surface oxidation; however, this has remained elusive to date.…”

“…Recent computational predictions suggest that the size reduction in the QD regime in AgInTe 2 may have a propitious effect on their thermoelectric properties. 30 Moreover, a heterostructure formation on top of this QD structure may control the long-term surface oxidation; however, this has remained elusive to date.…”