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Thesis
Home   /   Thesis   /   Coupled electron and phonon dynamics in 1d and 2d materials for potential thermoelectric applications: quantum confinement and external phonon bath effects

Coupled electron and phonon dynamics in 1d and 2d materials for potential thermoelectric applications: quantum confinement and external phonon bath effects

Condensed matter physics, chemistry & nanosciences Solid state physics, surfaces and interfaces

Abstract

Today, in the context of climate change and the search for frugal numerical technologies, there is an urgent need to develop a portfolio of thermoelectric materials offering thermal stability, especially for the temperature range 300-400 K, where a large amount of heat is wasted into the environment. Compared to bulk materials, low-dimensional materials, such as nanowires and thin films, offer interesting possibilities for improvement of their thermoelectric properties. In this theoretical project, we aim to describe the coupled dynamics of hot electrons and phonons in low dimensional materials via an approach based on Density Functional Theory and on the solution of coupled Boltzmann transport equations for electrons and phonons. The focus of the project will be to describe main effects of reduced dimensionality and the role of interface and substrate on thermoelectric transport properties in 1D and 2D dimensional materials. The choice of materials is motivated by the potential applicability in the field of next generation energy harvesting, as well as by the ongoing collaborations with experimentalists. Recently, GEEPS researchers have demonstrated that 2D Bi2O2Se allows to achieve a thermoelectric power which is 6-fold larger and closer to room temperature operation than that measured recently by another team. This preliminary result is very encouraging and, at the same time, raises fundamental questions on the physical reasons which led to such outstanding power factor. This is what our theoretical project aims to elucidate.

Laboratory

Institut rayonnement et matière de Saclay
Laboratoire des Solides Irradiés
Laboratoire des Solides Irradiés
Ecole Polytechnique
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