Thermoelectric generators, capable of directly converting heat into electricity, hold great
promise for tackling the ever-increasing energy sustainability issue. The thermoelectric …

For several decades, thermoelectric advancements have largely relied on the reduction of
lattice thermal conductivity (κL). According to the Boltzmann transport theory of phonons, κL …

ShengBTE is a software package for computing the lattice thermal conductivity of crystalline
bulk materials and nanowires with diffusive boundary conditions. It is based on a full iterative …

A diverse spectrum of technology drivers such as improved thermal barriers, higher
efficiency thermoelectric energy conversion, phase-change memory, heat-assisted magnetic …

Lattice thermal conductivities of zincblende-and wurtzite-type compounds with 33
combinations of elements are calculated with the single-mode relaxation-time approximation …

High-throughput computational materials design is an emerging area of materials science.
By combining advanced thermodynamic and electronic-structure methods with intelligent …

The thermoelectric (TE) efficiency is evaluated by the material thermoelectric figure of merit
(ZT), which can be usually improved by enhancing the electrical transport properties and/or …

This review is an update of a previous review (AJ Minnich, et al., Energy Environ. Sci., 2009,
2, 466) published two years ago by some of the co-authors, focusing on progress made in …

Mitigation of the global energy crisis requires tailoring the thermal conductivity of materials.
Low thermal conductivity is critical in a broad range of energy conversion technologies …

We study the thermoelectric properties of bulk and monolayer MoSe2 and WSe2 by first-
principles calculations and semiclassical Boltzmann transport theory. The lattice thermal …