Projekt

The thermoelectric effect in novel nanostructured materials from ballistic quantum transport calculations

Udbyder

Vejleder

Sted

København og omegn

Overview

The thermoelectric effect refers to the conversion between an electrical potential and a temperature difference. That is, one can either use the effect for ‘solid state’ cooling/heating, or for harvesting electrical energy from an external temperature gradient. The thermoelectric ‘figure of merit’ for a material is called ZT and for the best known thermoelectric alloys it is usually around 1. Graphene is by itself not a great thermoelectric material, but it has previously been shown that when nanostructured, the heat conductivity of graphene is suppressed and the Seebeck coefficient enhanced, such that it may be relevant for nano-sized thermoelectric devices.

Recently, a new type of nano-structured graphene was synthesized - the nanoporous graphene. We have previously investigated this material’s electronic properties, but not the phononic properties nor the Seebeck coefficient. We suspect that due to its unique structure - resembling a series of nanoribbons connected by thin ‘molecular bridges’ - that it could either directly or by modification become a high ZT material.

Aim

The aim of this project is to calculate the thermoelectric figure of merit (ZT) for nanoporous graphene. This will require calculation of both electronic and phononic transport properties. We will then investigate possible modifications to the material to further enhance the figure.

Content

Computer simulations using density functional theory (DFT) software. Phonon calculations. Quantum transport using non-equilibrium Greens functions for both electrons and phonons. Programming in Python.


Forudsætninger

Student should know solid state physics (eg course 10303). Student should be at least superficially experienced with Python. We recommend (but dont require) eg. course 10325.

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Kontakt

Virksomhed/organisation

DTU Fysik

Navn

Mads Brandbyge

Stilling

Professor

Mail

mabr@dtu.dk

Vejleder-info

Bachelor i Fysik og Nanoteknologi

Vejleder

Mads Brandbyge

Medvejledere

Jonas Lundholm Bertelsen

ECTS-point

5 - 30

Type

Bachelorprojekt, Kandidatspeciale, Specialkursus

Skal have taget

10303

Kandidatuddannelsen i Fysik og Nanoteknologi

Vejleder

Mads Brandbyge

Medvejledere

Jonas Lundholm Bertelsen

ECTS-point

5 - 30

Type

Bachelorprojekt, Kandidatspeciale, Specialkursus

Skal have taget

10303

OM DTU

DTU er et teknisk eliteuniversitet med international rækkevidde og standard. Vores mission er at udvikle og nyttiggøre naturvidenskab og teknisk videnskab til gavn for samfundet. 10.000 studerende uddanner sig her til fremtiden, og 5.700 medarbejdere har hver dag fokus på uddannelse, forskning, myndighedsrådgivning og innovation, som bidrager til øget vækst og velfærd.

Find os her

Anker Engelunds Vej 1
Bygning 101A
2800 Kgs. Lyngby


45 25 25 25

dtu@dtu.dk

CVR-nr. 30 06 09 46

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