Chalcogenides as thermoelectric materials

First-Principles Calculations of Thermoelectric Properties of IV–VI Chalcogenides 2D Materials

1 Aerospace and Mechanical Engineering Department, University of Notre Dame, Notre Dame, IN, United States, 2 Departamento de Ingeniería Mecánica y Metalúrgica, Pontificia Universidad Católica de Chile, Santiago, Chile, 3 Facultad de Física, Instituto de Física, Pontificia Universidad Católica de Chile, Santiago, Chile, 4 Centro de Investigación en Nanotecnología y Materiales Avanzados (CIEN-UC...

Nanostructured Transition Metal Chalcogenides as Materials in Lithium Ion Batteries

Micro- and Macromechanical Properties of Thermoelectric Lead Chalcogenides.

Both n- and p-type lead telluride (PbTe)-based thermoelectric (TE) materials display high TE efficiency, but the low fracture strength may limit their commercial applications. To find ways to improve these macroscopic mechanical properties, we report here the ideal strength and deformation mechanism of PbTe using density functional theory calculations. This provides structure-property relations...

Hierarchical Architecturing for Layered Thermoelectric Sulfides and Chalcogenides

Sulfides are promising candidates for environment-friendly and cost-effective thermoelectric materials. In this article, we review the recent progress in all-length-scale hierarchical architecturing for sulfides and chalcogenides, highlighting the key strategies used to enhance their thermoelectric performance. We primarily focus on TiS₂-based layered sulfides, misfit layered sulfides, homologo...

Phase transition enhanced thermoelectric figure-of-merit in copper chalcogenides