Searching for new high‐performance thermoelectric (TE) materials that are economical and
environmentally friendly is an urgent task for TE society, but the advancements are greatly …

The thermoelectric effect allows direct and reversible conversion of thermal energy into
electricity. As a result, thermoelectric generators and coolers can be an essential part of the …

We present an update on recently developed methodology and functionality in the computer
program Local Orbital Basis Suite Toward Electronic‐Structure Reconstruction (LOBSTER) …

Thermoelectric materials harvest waste heat and convert it into reusable electricity.
Thermoelectrics are also widely used in inverse ways such as refrigerators and cooling …

Quantitative descriptions of the structure-thermal property correlation have always been a
challenging bottleneck in designing functional materials with superb thermal properties. In …

Thermoelectric (TE) materials can convert temperature difffferences into electricity directly
and reversibly without air pollution, which provides a viable route for alleviating global …

Reducing our overwhelming dependence on fossil fuels requires groundbreaking
innovations in increasing our efficiency in energy consumption for current technologies and …

Extensive trial and error in the variable space is the main cause of low efficiency and high
cost in material development. The experimental tasks can be reduced significantly in the …

Since the proposal of the “Materials Genome Initiative”, several material databases have
emerged and advanced many materials fields. In this work, we present the Materials …

The concept of element substitution was introduced with the discovery of classic
semiconductors in the early 1930s. While it has been demonstrated as an effective strategy …