# Advances in the optimization of silicon-based thermoelectrics: a theory perspective

## TL;DR

This paper reviews recent theoretical advances in designing silicon-based thermoelectric materials, highlighting nanostructuring, alloying, and chemical optimization to improve efficiency for energy applications.

## Contribution

It emphasizes the role of theory and atomistic modeling in guiding the development of more efficient silicon-based thermoelectrics.

## Key findings

- Nanostructuring enhances thermoelectric performance.
- Alloying improves material properties.
- Chemical optimization leads to higher efficiency.

## Abstract

Thermoelectric devices convert temperature gradients into electrical power and vice versa, thus enabling energy scavenging from waste heat, sensing and cooling. Yet, many of these attractive applications are hindered by the limited efficiency of thermoelectric materials, especially in the low temperature regime. This review provides a summary of the recent advances in the design of new efficient silicon--based thermoelectric materials through nanostructuring, alloying and chemical optimization, emphasizing the contribution from theory and atomistic modeling.