Thermoelectric materials can convert heat into electrical energy, which can potentially be
used to improve the fuel efficiency of conventional heat engines. In recent decades …

Thermoelectric (TE) materials have attracted tremendous research interests over the past
few decades, due to their application in power generation technology from waste heat …

Motivated by the synthesized Cu 4 Ti Se 4 with ultralow room-temperature thermal
conductivity [Angew. Chem., Int. Ed. 60, 9106 (2021)], we systematically investigate its …

Substitutional point defects of aliovalent enable a significant manipulation in carrier
concentration thus optimize the charge transport for an enhanced thermoelectric power …

Thermoelectric materials which can convert heat energy to electricity rely on crystalline
inorganic solid state compounds exhibiting low phonon transport (ie low thermal …

We demonstrate the use of functional-unit-based material design for thermoelectrics. This is
an efficient approach for identifying high-performance thermoelectric materials, based on the …

Resonant level, the impurity level located inside the valence/conduction band, is an effective
strategy for decoupling the electrical conductivity and Seebeck coefficient and enhancing …

Understanding the ultralow and glass-like lattice thermal conductivity (κ) of complex
thermoelectric (TE) materials is challenging due to the intrinsic complexity that bridges …

Reducing lattice thermal conductivity through external modulation techniques such as defect
engineering may potentially interfere with electronic transport. Materials with intrinsically low …

Using the first-principle simulations and the Boltzmann transport equation, our study
investigated the properties of single-layer SnBi 2 Se 4 and PbBi 2 Se 4, including stability …