2 papers
cond-mat.mtrl-sci2023
Computational prediction of high thermoelectric performance in AsSe by engineering out-of-equilibrium defects
Anderson S. Chaves, Murilo Aguiar Silva, Alex Antonelli
We employed first-principles calculations to investigate the thermoelectric transport properties of the compound AsSe. Early experiments and calculations have indicated tha…
cond-mat.mtrl-sci2023
Semiclassical Electron and Phonon Transport from First Principles: Application to Layered Thermoelectrics
Anderson S. Chaves, Michele Pizzochero, Daniel T. Larson +2
Thermoelectrics are a promising class of materials for renewable energy owing to their capability to generate electricity from waste heat, with their performance being governed by…