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Coupled electron and phonon dynamics in 1d and 2d materials for potential thermoelectric applications: q


Thesis topic details

General information

Organisation

The French Alternative Energies and Atomic Energy Commission (CEA) is a key player in research, development and innovation in four main areas :
• defence and security,
• nuclear energy (fission and fusion),
• technological research for industry,
• fundamental research in the physical sciences and life sciences.

Drawing on its widely acknowledged expertise, and thanks to its 16000 technicians, engineers, researchers and staff, the CEA actively participates in collaborative projects with a large number of academic and industrial partners.

The CEA is established in ten centers spread throughout France
  

Reference

SL-DRF-24-0535  

Direction

DRF

Thesis topic details

Category

Condensed Matter Physics, chemistry, nanosciences

Thesis topics

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

Contract

Thèse

Job description

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.

University / doctoral school

Ecole Doctorale de l’Institut Polytechnique de Paris (IP Paris)
Ecole Polytechnique

Thesis topic location

Site

Saclay

Requester

Position start date

01/10/2024

Person to be contacted by the applicant

SJAKSTE Jelena jelena.sjakste@polytechnique.edu
CNRS
DRF/IRAMIS/LSI/LSI
LSI
Ecole Polytechnique
route de Sacaly
91128 Palaiseau Cedex
+33169334511

Tutor / Responsible thesis director

SJAKSTE Jelena jelena.sjakste@polytechnique.edu
CNRS
DRF/IRAMIS/LSI/LSI
LSI
Ecole Polytechnique
route de Sacaly
91128 Palaiseau Cedex
+33169334511

En savoir plus

https://www.polytechnique.edu/annuaire/sjakste-jelena
https://portail.polytechnique.edu/lsi/fr/research/theorie-de-la-science-des-materiaux