Compromise and synergy in high‐efficiency thermoelectric materials
The past two decades have witnessed the rapid growth of thermoelectric (TE) research.
Novel concepts and paradigms are described here that have emerged, targeting superior TE …
Novel concepts and paradigms are described here that have emerged, targeting superior TE …
Clathrate thermoelectrics
JA Dolyniuk, B Owens-Baird, J Wang, JV Zaikina… - Materials Science and …, 2016 - Elsevier
Clathrates represent a fascinating class of inorganic materials with a unique structural motif:
3D framework with large polyhedral cages encapsulating guest ions. Weak electrostatic …
3D framework with large polyhedral cages encapsulating guest ions. Weak electrostatic …
Strong phonon softening and avoided crossing in aliovalence-doped heavy-band thermoelectrics
Aliovalent do** is a way to optimize the electrical properties of semiconductors, but its
impact on the phonon structure and propagation is seldom considered properly. Here we …
impact on the phonon structure and propagation is seldom considered properly. Here we …
Realizing high figure of merit in heavy-band p-type half-Heusler thermoelectric materials
Solid-state thermoelectric technology offers a promising solution for converting waste heat to
useful electrical power. Both high operating temperature and high figure of merit zT are …
useful electrical power. Both high operating temperature and high figure of merit zT are …
Accurate description of high-order phonon anharmonicity and lattice thermal conductivity from molecular dynamics simulations with machine learning potential
Y Ouyang, C Yu, J He, P Jiang, W Ren, J Chen - Physical Review B, 2022 - APS
Phonon anharmonicity is critical for accurately predicting the material's thermal conductivity
(κ). However, its calculation based on the perturbation theory is a difficult and time …
(κ). However, its calculation based on the perturbation theory is a difficult and time …
Temperature-dependent effective third-order interatomic force constants from first principles
O Hellman, IA Abrikosov - Physical Review B—Condensed Matter and …, 2013 - APS
The temperature-dependent effective potential (TDEP) method is generalized beyond pair
interactions. The second-and third-order force constants are determined consistently from ab …
interactions. The second-and third-order force constants are determined consistently from ab …
Glass-like phonon scattering from a spontaneous nanostructure in AgSbTe2
Materials with very low thermal conductivity are of great interest for both thermoelectric and
optical phase-change applications. Synthetic nanostructuring is most promising for …
optical phase-change applications. Synthetic nanostructuring is most promising for …
High Thermoelectric and Reversible pnp Conduction Type Switching Integrated in Dimetal Chalcogenide
The subject of the involved phase transition in solid materials has formed not only the basis
of materials technology but also the central issue of solid-state chemistry for centuries. The …
of materials technology but also the central issue of solid-state chemistry for centuries. The …
Hysteresis design of magnetocaloric materials—from basic mechanisms to applications
Magnetic refrigeration relies on a substantial entropy change in a magnetocaloric material
when a magnetic field is applied. Such entropy changes are present at first‐order …
when a magnetic field is applied. Such entropy changes are present at first‐order …
Enhancing thermoelectric performance in P-Type Mg3Sb2-based zintls through optimization of band gap structure and nanostructuring
Y Zhang, JS Liang, C Liu, Q Zhou, Z Xu, H Chen… - Journal of Materials …, 2024 - Elsevier
Abstract P-type Mg 3 Sb 2-based Zintls have attracted considerable interest in the
thermoelectric (TE) field due to their environmental friendliness and low cost. However …
thermoelectric (TE) field due to their environmental friendliness and low cost. However …